SCHEMBL4911657

SCHEMBL4911657

COC(=O)c1cc(O)nn1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 1/20 0.54
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 3/20 0.51
GRN P28799 2/20 0.50
SORT1 Q99523 2/20 0.50
THRB P10828 1/20 0.48
GAA P10253 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
AGTR1 P30556 1/20 0.46
RECQL P46063 1/20 0.45
BRD4 O60885 1/20 0.44

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
SCHEMBL28702025 0.86 MAPT (0.52) SMN1; SMN2CYP1A2MAPTGAARAB9A
SCHEMBL8430653 0.86 RAB9A (0.59) SMN1; SMN2POLBCYP1A2TDP1MAPT
SCHEMBL20488594 0.86 SMN1; SMN2 (0.54) SMN1; SMN2POLBCYP1A2TDP1MAPT
SCHEMBL24797758 0.84 GRN (0.58) SMN1; SMN2POLBCYP1A2TDP1MAPT
SCHEMBL20488433 0.84 SMN1; SMN2 (0.53) SMN1; SMN2POLBCYP1A2TDP1MAPT
SCHEMBL20488439 0.81 BRD4 (0.67) SMN1; SMN2POLBCYP1A2TDP1MAPT
SCHEMBL4916492 0.81 SMN1; SMN2 (0.56) SMN1; SMN2POLBCYP1A2TDP1MAPT
SCHEMBL5106101 0.81 SMN1; SMN2 (0.50) SMN1; SMN2POLBCYP1A2TDP1MAPT
SCHEMBL17646792 0.81 SLC22A12 (0.43) SMN1; SMN2POLBTDP1MAPTGAA
SCHEMBL5106653 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBCYP1A2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2005-01-13 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 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 (5 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 SMN1; SMN2 4210/4885POLB 2261/4885CYP1A2 354/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A SMN1; SMN2 3516/4885POLB 2841/4885CYP1A2 283/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 SMN1; SMN2 1094/4885POLB 2745/4885CYP1A2 1105/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 SMN1; SMN2 1091/4885POLB 2789/4885CYP1A2 1114/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 SMN1; SMN2 3876/4885POLB 4079/4885CYP1A2 655/4885

“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.