SCHEMBL4914792

SCHEMBL4914792

CCOc1cc(CO)n(Cc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL5109059 0.89 POLB (0.41) POLBSMN1; SMN2MAPK1TDP1HTR2A
SCHEMBL7997757 0.82 KDM4E (0.54) POLBSMN1; SMN2SLC6A4ALDH1A1
SCHEMBL5120275 0.82 PPARG (0.48) POLBSMN1; SMN2MEN1KMT2AGRN
SCHEMBL8428544 0.77 PTGS2 (0.46) POLBMEN1KMT2A
SCHEMBL5110194 0.77 CYP11B1 (0.43) POLBSMN1; SMN2TDP1HTR2AHTR2C
SCHEMBL4914763 0.76 SMN1; SMN2 (0.41) POLBSMN1; SMN2MAPK1TDP1HTR2A
SCHEMBL4916492 0.76 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPK1TDP1MEN1
SCHEMBL13373557 0.75 HTR2C (0.56) POLBSMN1; SMN2MAPK1TDP1HTR2A
SCHEMBL7998018 0.75 GRN (0.48) POLBSMN1; SMN2TDP1SLC6A4ALDH1A1
SCHEMBL5105836 0.72 ALDH1A1 (0.47) POLBSMN1; SMN2MAPK1TDP1ALDH1A1

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 10 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-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
EP-1442034-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS KDR PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 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-2003035644-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS KDR PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-05-01 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 (4 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 POLB 2261/4885SMN1; SMN2 4210/4885MAPK1 154/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A POLB 2841/4885SMN1; SMN2 3516/4885MAPK1 23/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 POLB 2745/4885SMN1; SMN2 1094/4885MAPK1 125/4885
US-20050009894-A1 Benzimidazole derivatives and their use as KDR kinase protein inhibitors KDR, MUSK, FLT4 POLB 2789/4885SMN1; SMN2 1091/4885MAPK1 123/4885

“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.