SCHEMBL831541

SCHEMBL831541

O=C(Nc1ccn2c3c(nc2c1)CCCC3)c1cc2cc(F)ccc2n1Cc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 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
SCHEMBL829963 0.90 F10 (0.41) CCR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL1093763 0.89 F10 (0.41) CCR2TP53LMNAMAOBPTGDR2
SCHEMBL829861 0.82 ECE1 (0.41) CCR2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL1093306 0.79 F10 (0.39) CCR2MAOBPTGDR2ECE1ABCB1
SCHEMBL831743 0.77 CNR1 (0.43) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL831540 0.76 LMNA (0.45) CCR2TP53LMNANPSR1ALDH1A1
SCHEMBL829860 0.76 SMN1; SMN2 (0.43) CCR2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL15361984 0.76 MAOB (0.48) CCR2TP53MEN1KMT2ARECQL
SCHEMBL832828 0.75 APP (0.44) CCR2TP53LMNANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL3576467 0.75 MAOB (0.47) CCR2TP53MEN1KMT2ARECQL

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 CCR2 1776/4885TP53 3698/4885LMNA 2690/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS CCR2 1745/4885TP53 3752/4885LMNA 2463/4885

“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.