SCHEMBL831742

SCHEMBL831742

O=C(Nc1ccc2c(c1)nc1n2CCCC1)c1cc2cccnc2n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.51
ALDH1A1 P00352 6/20 0.51
LMNA P02545 4/20 0.51
MAPK1 P28482 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 7/20 0.47
KDM4E B2RXH2 3/20 0.47
USP2 O75604 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.45
KDM1A O60341 1/20 0.45
HSD17B10 Q99714 1/20 0.44
APP P05067 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL830392 0.97 ALDH1A1 (0.48) TP53ALDH1A1LMNAMAPK1RAB9A
SCHEMBL832608 0.86 TP53 (0.47) TP53ALDH1A1LMNAMAPK1RAB9A
SCHEMBL831297 0.85 MAPT (0.46) TP53ALDH1A1LMNAMAPK1RAB9A
SCHEMBL832460 0.83 MAPT (0.45) TP53ALDH1A1LMNAMAPK1RAB9A
SCHEMBL831020 0.80 MAPT (0.41) TP53ALDH1A1LMNAMAPK1RAB9A
SCHEMBL15033471 0.79 TP53 (0.73) TP53ALDH1A1LMNAMAPK1RAB9A
SCHEMBL831540 0.78 LMNA (0.45) TP53ALDH1A1LMNAMAPK1RAB9A
SCHEMBL829962 0.78 RAB9A (0.50) TP53ALDH1A1LMNAMAPK1RAB9A
SCHEMBL833860 0.78 ALDH1A1 (0.47) TP53ALDH1A1LMNAMAPK1RAB9A
SCHEMBL2813981 0.76 HTR2B (0.48) TP53ALDH1A1MAPTKDM4EHTT

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 TP53 3698/4885ALDH1A1 453/4885LMNA 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 TP53 3752/4885ALDH1A1 484/4885LMNA 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.