SCHEMBL639581

SCHEMBL639581

CC(C(=O)O)n1c(=O)[nH]c2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.55
▸ PGR P06401 5/20 0.53
▸ B3GNT2 Q9NY97 9/20 0.50
▸ MDM2 Q00987 3/20 0.45
▸ PSMB8 P28062 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL640633 0.83 B3GNT2 (0.54) DAOPGRB3GNT2MDM2PSMB8
SCHEMBL2968866 0.83 PGR (0.72) DAOPGRB3GNT2PSMB8
SCHEMBL640117 0.80 DAO (0.51) DAOPGRB3GNT2MDM2
SCHEMBL640608 0.79 MDM2 (0.65) DAOPGRMDM2
SCHEMBL641668 0.76 GABRP (0.51) DAOPGRB3GNT2MDM2
Tert-Butyl Formate SCHEMBL27776862 0.76 B3GNT2 (0.46) DAOPGRB3GNT2MDM2
SCHEMBL640979 0.76 CBX7 (0.44) DAOPGRB3GNT2MDM2
SCHEMBL8907357 0.75 CA12 (0.38) PGRMDM2PTGDR2
SCHEMBL640092 0.75 AKR1C3 (0.45) DAOPGRB3GNT2
SCHEMBL639654 0.74 CBX7 (0.55) DAOPGRB3GNT2MDM2

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 — — US disclosed
CN-101528712-B Substituted benzimidazolone derivatives, medicaments containing them and the use thereof ABBOTT GMBH & CO KG 2013-10-30 — — CN disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 — — US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 — — US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 — — US disclosed
CN-101528712-A Substituted benzimidazolone derivatives, medicaments containing them and the use thereof ABBOTT GMBH & CO KG (DE) 2009-09-09 — — CN disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 — — EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 — — 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A DAO 1622/4885PGR 1436/4885B3GNT2 3014/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A DAO 1622/4885PGR 1436/4885B3GNT2 3014/4885

“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.

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