SCHEMBL5952330

SCHEMBL5952330

Nc1ccc(-c2ccc3c(c2)OCO3)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
SRC P12931 1/20 0.54
KIF11 P52732 1/20 0.50
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
MAPT P10636 4/20 0.47
USP2 O75604 1/20 0.47
PTPRC P08575 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 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
SCHEMBL12394968 0.83 CA12 (0.50) KMT2AMEN1CA12CA2CA9
SCHEMBL3903052 0.83 CA12 (0.50) KMT2AMEN1CA12CA2CA9
SCHEMBL6249208 0.83 CYP3A4 (0.61) KMT2AMEN1CA12CA2CA9
SCHEMBL3901839 0.82 CA12 (0.61) KMT2AMEN1CA12CA2CA9
SCHEMBL22162812 0.81 CA12 (0.58) KMT2AMEN1TDP1CA12CA2
SCHEMBL12394331 0.78 PPM1B (0.54) KMT2AMEN1CA12CA2CA9
SCHEMBL980270 0.77 CYP19A1 (0.58) KMT2AMEN1CA12CA2CA9
SCHEMBL30469371 0.77 CYP19A1 (0.58) KMT2AMEN1CA12CA2CA9
SCHEMBL29629010 0.77 PTGS2 (0.58) KMT2AMEN1CA12CA2CA9
SCHEMBL2692579 0.77 CA12 (0.59) KMT2AMEN1CA12CA2CA9

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 8 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-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 KMT2A 1678/4885MEN1 2639/4885TDP1 2680/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KMT2A 1844/4885MEN1 1460/4885TDP1 1498/4885

“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.