SCHEMBL9939772

SCHEMBL9939772

Cc1nc(C(=O)NCc2ccc(Cl)c(Nc3nc4cc(N5CCCC5)ccc4[nH]3)c2)c(C)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CNR1 P21554 9/20 0.38
CNR2 P34972 6/20 0.36
PTGS2 P35354 2/20 0.36
WDR5 P61964 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ENPP2 Q13822 2/20 0.35
PTGES O14684 1/20 0.35
F10 P00742 1/20 0.34

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
SCHEMBL9939936 0.85 ENPP2 (0.36) CNR1CNR2PTGS2WDR5ALDH1A1
SCHEMBL9939935 0.83 KLKB1 (0.42) WDR5ALDH1A1MAPT
SCHEMBL9939974 0.83 PTGES (0.43) CNR1ENPP2PTGES
SCHEMBL9939865 0.82 CNR1 (0.36) CNR1CNR2PTGS2WDR5ALDH1A1
SCHEMBL9939773 0.82 AKT2 (0.42) CNR1WDR5ENPP2PTGES
SCHEMBL9939842 0.82 HDAC3 (0.39) CNR1CNR2WDR5ENPP2PTGES
SCHEMBL9939775 0.81 DRD2 (0.40) CNR1PTGS2WDR5ENPP2PTGES
SCHEMBL9939824 0.81 POLB (0.45) WDR5ALDH1A1MAPT
SCHEMBL9939834 0.81 PTGES (0.38) CNR1PTGS2WDR5MAPTENPP2
SCHEMBL9939776 0.81 PTGES (0.38) CNR1PTGS2WDR5ENPP2PTGES

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-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES PPARD 401/4885PPARA 737/4885CNR1 48/4885

“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.