SCHEMBL832609

SCHEMBL832609

O=C(Nc1ccn2c3c(nc2c1)CCCC3)c1cc2cc(C(F)(F)F)cnc2n1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
NR3C1 P04150 4/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACKR3 P25106 1/20 0.35
FABP4 P15090 2/20 0.34
KIT P10721 1/20 0.34
DDR1 Q08345 1/20 0.34
DDR2 Q16832 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL831743 0.86 CNR1 (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL973777 0.77 LMNA (0.38) PPARGNR3C1MAPTACKR3KIT
SCHEMBL832608 0.76 TP53 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1099511 0.76 MAPT (0.48) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL832460 0.75 MAPT (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL829963 0.75 F10 (0.41) PPARGMEN1KMT2AFABP4ALDH1A1
SCHEMBL3114790 0.74 CCR2 (0.51) PPARGALDH1A1
SCHEMBL1093763 0.73 F10 (0.41) PPARGLMNA
SCHEMBL831541 0.73 CCR2 (0.40) MAPTNPSR1MEN1KMT2AKDM4E
SCHEMBL974351 0.72 MCHR1 (0.40) PPARGMAPTACKR3

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 PPARG 388/4885NR3C1 2337/4885HIF1A 2071/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS PPARG 377/4885NR3C1 2384/4885HIF1A 2220/4885

“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.