SCHEMBL4312653

SCHEMBL4312653

CC(C)(C)c1cc(C(=O)Nc2ccc(NC(=N)c3cccs3)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.46
GFER P55789 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46

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
Hydrochloric Acid SCHEMBL4313293 0.99 ALOX5 (0.56) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL4395128 0.84 ALOX5 (0.54) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL4313479 0.83 KMT2A (0.49) ALOX5PTGS1PTGS2MEN1KMT2A
Hydrochloric Acid SCHEMBL4400401 0.83 ALOX5 (0.52) ALOX5PTGS1PTGS2MEN1KMT2A
Hydrochloric Acid SCHEMBL4312616 0.82 KMT2A (0.48) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL4313144 0.81 ALOX5 (0.47) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL8572023 0.80 MEN1 (0.78) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL4321228 0.80 NPC1 (0.48) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL4315399 0.80 KMT2A (0.59) KMT2ARAB9ANPC1TDP1MAPT
Hydrochloric Acid SCHEMBL4313515 0.80 ALOX5 (0.46) ALOX5PTGS1PTGS2MEN1KMT2A

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 16 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-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 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-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
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

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 ALOX5 760/4885PTGS1 82/4885PTGS2 78/4885
US-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADRB2, ADRA2C, PNMT ALOX5 3668/4885PTGS1 682/4885PTGS2 547/4885
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 ALOX5 267/4885PTGS1 10/4885PTGS2 8/4885
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 ALOX5 421/4885PTGS1 4/4885PTGS2 6/4885
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 ALOX5 2272/4885PTGS1 249/4885PTGS2 168/4885
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TYR, MB, F2 ALOX5 985/4885PTGS1 40/4885PTGS2 17/4885
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 ALOX5 36/4885PTGS1 40/4885PTGS2 87/4885

“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.