SCHEMBL829962

SCHEMBL829962

O=C(Nc1ccc2c(c1)nc1n2CCCC1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
TP53 P04637 6/20 0.47
LMNA P02545 3/20 0.47
KDM1A O60341 1/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.43
MAPK1 P28482 4/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
ECE1 P42892 1/20 0.42
ABCB1 P08183 1/20 0.42
APP P05067 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL833715 0.97 RAB9A (0.47) RAB9ATP53LMNAKDM1AMAPT
SCHEMBL831540 0.90 LMNA (0.45) RAB9ATP53LMNAKDM1AMAPT
SCHEMBL832828 0.87 APP (0.44) RAB9ATP53LMNAKDM1AMAPT
SCHEMBL1093742 0.87 RAB9A (0.41) RAB9ATP53LMNANPC1ECE1
SCHEMBL1092642 0.84 PPARG (0.42) RAB9ALMNAMAPTNPC1KMT2A
SCHEMBL1094241 0.83 ABCB1 (0.44) RAB9ATP53LMNAMAPTNPC1
SCHEMBL832026 0.82 TP53 (0.44) RAB9ATP53LMNAKDM1AMAPT
SCHEMBL1094309 0.82 ECE1 (0.42) RAB9ATP53LMNAMAPTMAPK1
SCHEMBL831603 0.82 ECE1 (0.41) RAB9AMAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL1093932 0.81 PPARG (0.42) RAB9AKMT2AMEN1ABCB1

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 RAB9A 2495/4885TP53 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 RAB9A 2602/4885TP53 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.