SCHEMBL832224

SCHEMBL832224

CCOC(=O)c1cc2cc(C(F)(F)F)cnc2n1Cc1ccc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALOX5AP P20292 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 1/20 0.38
F10 P00742 2/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
CASP1 P29466 2/20 0.37

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
SCHEMBL3111353 0.86 ALOX5AP (0.41) ALOX5APCYSLTR1
SCHEMBL833013 0.84 NOD2 (0.50) NOD2NOD1POLBKDM4ESMN1; SMN2
SCHEMBL2545450 0.80 NOD2 (0.44) NOD2NOD1POLBKDM4ESMN1; SMN2
SCHEMBL1093477 0.79 MAPT (0.46) NOD2NOD1POLBKDM4ESMN1; SMN2
SCHEMBL12584503 0.79 NOD2 (0.64) NOD2NOD1POLBKDM4ESMN1; SMN2
SCHEMBL24640542 0.77 POLB (0.47) POLBKDM4ESMN1; SMN2CRHBPCRHR2
SCHEMBL926599 0.77 POLB (0.41) POLBKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL30104790 0.76 POLB (0.44) POLBKDM4ESMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL31491281 0.76 POLB (0.46) POLBKDM4ESMN1; SMN2CRHBPCRHR2
SCHEMBL3615800 0.76 NOD2 (0.52) NOD2NOD1POLBKDM4ESMN1; SMN2

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
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 US 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 NOD2 1126/4885NOD1 396/4885POLB 1134/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS NOD2 978/4885NOD1 313/4885POLB 1170/4885

“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.