SCHEMBL5952397

SCHEMBL5952397

CC(C)(C)OCc1n[nH]cc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCAR2 Q8TDS4 3/20 0.33
NOTUM Q6P988 1/20 0.32
KDM5A P29375 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL15705197 0.87 ALDH1A1 (0.30) USP2ALDH1A1MAPTHPGDHTT
SCHEMBL5952180 0.81 KMT2A (0.42) ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL20524643 0.81 HCAR2 (0.46) HCAR2NOTUMKDM5AKDM5BKDM4E
SCHEMBL22637318 0.79 NOTUM (0.34) HCAR2NOTUMKDM5AKDM5BTDP1
SCHEMBL5952390 0.77 CNR2 (0.39) ALDH1A1KDM4E
SCHEMBL553835 0.77 GABRP (0.44) HSD17B10HCAR2NOTUMKDM5AKDM5B
SCHEMBL5951752 0.74 HCAR2 (0.37) ALDH1A1HTTHCAR2NOTUMKDM5A
SCHEMBL971141 0.74 HCAR2 (0.42) HCAR2NOTUMKDM5AKDM5BKDM4E
SCHEMBL26111310 0.73 KDM5A (0.31) NOTUMKDM5AKDM5B
SCHEMBL20268740 0.73 NOTUM (0.33) ALDH1A1HTTHCAR2NOTUMKDM4E

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 6 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-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 USP2 4085/4885ALDH1A1 1389/4885MAPT 3479/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A USP2 4375/4885ALDH1A1 862/4885MAPT 4186/4885

“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.