SCHEMBL8242374

SCHEMBL8242374

CCCCOc1ccc(C)nc1Cn1c(C(=O)O)nc2ccc(CO)cc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 7/20 0.39
▸ AGTR1 P30556 6/20 0.39
▸ PPARG P37231 2/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL8242381 0.92 TLR7 (0.35) AGTR2AGTR1PPARGALOX5APTLR7
SCHEMBL8249741 0.88 F2 (0.36) AGTR2AGTR1TLR7
SCHEMBL12884198 0.87 CSF1R (0.42) ALOX5AP
SCHEMBL8252433 0.86 S1PR4 (0.36) AGTR2AGTR1TLR7
SCHEMBL16327866 0.86 ALOX5AP (0.38) AGTR2AGTR1PPARGALOX5AP
SCHEMBL8251904 0.86 NPC1 (0.36) AGTR2AGTR1PPARGALOX5AP
SCHEMBL8247680 0.85 TLR8 (0.42) TLR7
SCHEMBL8248706 0.84 HTT (0.46) AGTR2AGTR1
SCHEMBL8251906 0.83 AGTR2 (0.39) AGTR2AGTR1ALOX5APTLR7
SCHEMBL8249720 0.82 PLK1 (0.36) AGTR2AGTR1PPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896450-B1 2-SUBSTITUTED BENZIMIDAZOLES JANSSEN R & D IRELAND (IE) 2012-08-15 — — EP disclosed
US-7884215-B2 2-substituted benzimidazoles JANSSEN SCIENCES IRELAND UC (IE) 2011-02-08 — — US disclosed
US-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-04-15 — — US disclosed
WO-2006136563-A1 2-SUBSTITUTED BENZIMIDAZOLES TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 — — 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 (1 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-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES HTR4, HRH4, HTR3C AGTR2 82/4885AGTR1 56/4885PPARG 3473/4885

“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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