SCHEMBL4328951

SCHEMBL4328951

Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)N1CCC(Oc3ccc(NC(=N)c4cccs4)cc3)CC1)O2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 9/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 3/20 0.38
BCHE P06276 11/20 0.38
NAMPT P43490 2/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34

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 SCHEMBL4803197 0.99 PTGS1 (0.38) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4313529 0.96 NAMPT (0.39) PTGS1PTGS2CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL4323943 0.96 NAMPT (0.39) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4324549 0.93 PTGS1 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL4310878 0.93 PTGS1 (0.40) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4322193 0.86 KMT2A (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4316379 0.86 KMT2A (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4313413 0.86 KMT2A (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4324491 0.86 KMT2A (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL4402634 0.86 KMT2A (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 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-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-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

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

For each of this compound's patents that has machine-readable text (2 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-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADRB2, ADRA2C, PNMT PTGS1 682/4885PTGS2 547/4885CYP1A2 949/4885
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 PTGS1 249/4885PTGS2 168/4885CYP1A2 34/4885

“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.