SCHEMBL829963

SCHEMBL829963

O=C(Nc1ccn2c3c(nc2c1)CCCC3)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.41
CCR2 P41597 1/20 0.40
ECE1 P42892 4/20 0.40
MAOB P27338 1/20 0.39
ABCB1 P08183 1/20 0.39
FABP3 P05413 1/20 0.38
PPARG P37231 1/20 0.37
CNR2 P34972 1/20 0.37
FABP4 P15090 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1093763 0.98 F10 (0.41) F10CCR2ECE1MAOBABCB1
SCHEMBL831541 0.90 CCR2 (0.40) F10CCR2ECE1MAOBABCB1
SCHEMBL1093306 0.87 F10 (0.39) F10CCR2ECE1MAOBABCB1
SCHEMBL975576 0.84 ECE1 (0.47) F10CCR2ECE1MAOBABCB1
SCHEMBL832765 0.83 ECE1 (0.44) F10CCR2ECE1MAOBPPARG
SCHEMBL974067 0.80 ECE1 (0.47) F10CCR2ECE1MAOBABCB1
SCHEMBL975637 0.78 F10 (0.43) F10CCR2ECE1MAOBABCB1
SCHEMBL977067 0.78 ECE1 (0.46) F10CCR2ECE1MAOBABCB1
SCHEMBL974569 0.77 ECE1 (0.44) F10CCR2ECE1PPARGPTGDR2
SCHEMBL831743 0.77 CNR1 (0.43) CNR2MEN1ALDH1A1KMT2A

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 5 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
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP 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 F10 3033/4885CCR2 1776/4885ECE1 2537/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS F10 3105/4885CCR2 1745/4885ECE1 2453/4885

“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.