SCHEMBL5953095

SCHEMBL5953095

CCOc1ccc(NC(C)=O)cc1CC

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.70
RORC P51449 3/20 0.70
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
CYP1A2 P05177 2/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 5/20 0.54
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL10777343 0.89 TDP1 (0.55) TDP1RORCKMT2AMEN1CYP1A2
SCHEMBL11125702 0.88 TDP1 (0.63) TDP1RORCKMT2AMEN1CYP1A2
SCHEMBL11038132 0.86 TDP1 (0.60) TDP1RORCKMT2AMEN1CYP1A2
SCHEMBL5952426 0.85 ALDH1A1 (0.59) TDP1RORCKMT2AMEN1LMNA
SCHEMBL11038773 0.84 TDP1 (0.63) TDP1RORCKMT2AMEN1CYP1A2
SCHEMBL11043546 0.84 TDP1 (0.59) TDP1RORCKMT2AMEN1CYP1A2
SCHEMBL13763482 0.84 TDP1 (0.70) TDP1RORCKMT2AMEN1CYP1A2
SCHEMBL10874979 0.84 TDP1 (0.70) TDP1RORCKMT2AMEN1CYP1A2
SCHEMBL2972710 0.83 TDP1 (1.00) TDP1RORCKMT2AMEN1CYP1A2
SCHEMBL11971474 0.83 TDP1 (0.68) TDP1RORCKMT2AMEN1CYP1A2

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 9 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
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 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
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 TDP1 2680/4885RORC 1867/4885KMT2A 1678/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A TDP1 1498/4885RORC 2422/4885KMT2A 1844/4885

“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.