SCHEMBL5951752

SCHEMBL5951752

O=C(O)c1c[nH]nc1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.37
KDM5B Q9UGL1 3/20 0.37
KDM5A P29375 3/20 0.37
KDM4C Q9H3R0 2/20 0.37
NOTUM Q6P988 1/20 0.34
APP P05067 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP1A2 P05177 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL20524643 0.82 HCAR2 (0.46) HCAR2KDM5BKDM5AKDM4CNOTUM
SCHEMBL29391341 0.82 IKBKB (0.36) HCAR2KDM4EALDH1A1
SCHEMBL20268740 0.82 NOTUM (0.33) HCAR2NOTUMTDP1KDM4EALDH1A1
SCHEMBL28222418 0.82 NOTUM (0.33) HCAR2NOTUMTDP1KDM4EALDH1A1
SCHEMBL29086057 0.82 GABRR1 (0.39) HCAR2NOTUMTDP1KDM4EALDH1A1
SCHEMBL25352337 0.81 PRKAB2 (0.35) HCAR2KDM5BKDM5AKDM4CNOTUM
SCHEMBL22637695 0.81 HCAR2 (0.49) HCAR2KDM5BKDM5AKDM4CNOTUM
SCHEMBL971141 0.79 HCAR2 (0.42) HCAR2KDM5BKDM5ANOTUMKDM4E
SCHEMBL22637318 0.77 NOTUM (0.34) HCAR2KDM5BKDM5AKDM4CNOTUM
SCHEMBL747711 0.77 HCAR2 (0.32) HCAR2NOTUM

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 HCAR2 3535/4885KDM5B 455/4885KDM5A 639/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HCAR2 3979/4885KDM5B 668/4885KDM5A 754/4885

“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.