SCHEMBL4316379

SCHEMBL4316379

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCN(c3ccc(NC(=N)c4cccs4)cc3)CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
MAPT P10636 9/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
UBE2N P61088 1/20 0.39
ACHE P22303 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4322193 1.00 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
SCHEMBL4313413 1.00 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
SCHEMBL4324491 1.00 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4326665 0.99 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4402634 0.99 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4317371 0.99 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4328082 0.99 KMT2A (0.44) KMT2AMAPTALDH1A1POLBCYP2C19
SCHEMBL4311284 0.91 KMT2A (0.43) KMT2AMAPTALDH1A1POLBCYP2C19
Hydrochloric Acid SCHEMBL4316202 0.90 KMT2A (0.43) KMT2AMAPTALDH1A1POLBCYP2C19
SCHEMBL4328951 0.86 PTGS1 (0.39) ALDH1A1HTTPTGS1PTGS2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973763-B1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2003-05-28 EP claimed
US-20020045753-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-18 US claimed
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-11 US claimed
US-20020007062-A1 Enyme inhibitors for treating neurodegenerative diseases; inhibition of lipidic peroxidation and nitrogen oxide synthase in warm-blooded animal; for treatment of cardiovascular/brain disorders SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-01-17 US claimed
US-7553976-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2009-06-30 US disclosed
US-7459558-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-02 US disclosed
US-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) 2008-07-31 US disclosed
US-7122535-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-10-17 US disclosed
US-20050187272-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them DE LASSAUNIERE PIERRE ETIENNE (FR) 2005-08-25 US disclosed
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-24 US disclosed
EP-1318149-A1 Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing them Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-06-11 EP disclosed
EP-0973763-B1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2003-05-28 EP disclosed
US-20030078420-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2003-04-24 US disclosed
US-20020045753-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-18 US disclosed
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-11 US disclosed
US-6340700-B1 NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS; ALSO TRAP REACTIVE OXYGEN SPECIES, INHIBITING LIPIDIC PEROXIDATION SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-22 US disclosed
US-20020007062-A1 Enyme inhibitors for treating neurodegenerative diseases; inhibition of lipidic peroxidation and nitrogen oxide synthase in warm-blooded animal; for treatment of cardiovascular/brain disorders SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-01-17 US disclosed
US-6335445-B1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-01 US disclosed
EP-0973763-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A. (S.C.R.A.S.) (FR) 2000-01-26 EP disclosed
WO-1998042696-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-10-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia XDH, NOS2, NOS3 KMT2A 2026/4885MAPT 2317/4885ALDH1A1 541/4885
US-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADRB2, ADRA2C, PNMT KMT2A 1254/4885MAPT 909/4885ALDH1A1 1318/4885
US-20030078420-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TNNI3, TNNT2, TH KMT2A 2294/4885MAPT 86/4885ALDH1A1 1099/4885
US-20050187272-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TNNI3, TNNT2, HMOX2 KMT2A 1759/4885MAPT 194/4885ALDH1A1 1409/4885
US-20020045753-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them MYADM, PIR, ACMSD KMT2A 1806/4885MAPT 1207/4885ALDH1A1 1043/4885
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TYR, MB, F2 KMT2A 1796/4885MAPT 1331/4885ALDH1A1 323/4885
US-20020007062-A1 Enyme inhibitors for treating neurodegenerative diseases; inhibition of lipidic peroxidation and nitrogen oxide synthase in warm-blooded animal; for treatment of cardiovascular/brain disorders GPX1, HMOX1, GPX4 KMT2A 2768/4885MAPT 560/4885ALDH1A1 402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.