SCHEMBL5951828

SCHEMBL5951828

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.56
CYP1A2 P05177 3/20 0.53
ALDH1A1 P00352 6/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
GFER P55789 2/20 0.43
TSHR P16473 1/20 0.43
DYRK1A Q13627 1/20 0.43
AXL P30530 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42

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
SCHEMBL7740448 0.89 IDO1 (0.53) MEN1KMT2AHTTCYP1A2ALDH1A1
SCHEMBL7793308 0.89 IDO1 (0.53) MEN1KMT2AHTTCYP1A2ALDH1A1
SCHEMBL1460061 0.87 KDM4E (0.58) MEN1KMT2AHTTCYP1A2ALDH1A1
SCHEMBL5096626 0.84 ALDH1A1 (0.47) MEN1KMT2AHTTCYP1A2ALDH1A1
SCHEMBL14770690 0.84 MLKL (0.52) MEN1KMT2AHTTCYP1A2ALDH1A1
SCHEMBL13373953 0.84 MEN1 (0.46) MEN1KMT2AHTTCYP1A2ALDH1A1
SCHEMBL14770549 0.82 ALDH1A1 (0.42) MEN1KMT2AHTTCYP1A2ALDH1A1
SCHEMBL24356102 0.81 MEN1 (0.50) MEN1KMT2AHTTCYP1A2ALDH1A1
SCHEMBL14770730 0.77 MLKL (0.44) MEN1KMT2AHTTCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL8565831 0.77 TAAR1 (0.60)

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 1678/4885HTT 4828/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MEN1 1460/4885KMT2A 1844/4885HTT 4860/4885

“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.