SCHEMBL831540

SCHEMBL831540

O=C(Nc1ccc2c(c1)nc1n2CCCC1)c1cc2cc(F)ccc2n1Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 3/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 8/20 0.43
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
APP P05067 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL832828 0.97 APP (0.44) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL829962 0.90 RAB9A (0.50) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL833715 0.87 RAB9A (0.47) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL831020 0.86 MAPT (0.41) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL830309 0.83 MAPK1 (0.46) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL15361982 0.80 RAB9A (0.52) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL840177 0.80 APP (0.49) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL2898446 0.79 KCNQ3 (0.49) SMN1; SMN2RAB9ANPC1MAPTCCR2
Hydrochloric Acid SCHEMBL3573666 0.79 RAB9A (0.52) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL832026 0.79 TP53 (0.44) LMNASMN1; SMN2MAPK1RAB9ANPC1

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 LMNA 2690/4885SMN1; SMN2 3560/4885MAPK1 4560/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS LMNA 2463/4885SMN1; SMN2 3750/4885MAPK1 4651/4885

“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.