SCHEMBL5952797

SCHEMBL5952797

COc1ccc2[nH]c(C(C)=O)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
CYP1A2 P05177 2/20 0.50
EGLN1 Q9GZT9 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
FLT3 P36888 5/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
FAAH O00519 1/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GFER P55789 1/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL27989553 0.89 PDGFRB (0.54) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL4826512 0.88 EGLN1 (0.53) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL17742733 0.88 EGLN1 (0.64) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL4697109 0.87 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL14690251 0.86 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL30707805 0.86 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL5952886 0.84 EGLN1 (0.50) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL24356099 0.81 CHEK2 (0.44) KMT2AALDH1A1CYP1A2EGLN1CYP2C19
SCHEMBL29488188 0.81 CHEK2 (0.44) KMT2AALDH1A1CYP1A2EGLN1CYP2C19
SCHEMBL15625894 0.79 KDM4E (0.52) MEN1KMT2AALDH1A1MAPTKDM4E

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 7 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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 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
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

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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MEN1 2639/4885KMT2A 1678/4885ALDH1A1 1389/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MEN1 1460/4885KMT2A 1844/4885ALDH1A1 862/4885

“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.