SCHEMBL832129

SCHEMBL832129

[C]1CNCc2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
CD44 P16070 1/20 0.39
MAOB P27338 1/20 0.39
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OXTR P30559 1/20 0.35
HTR5A P47898 2/20 0.35
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2C P28335 1/20 0.33
RYR2 Q92736 1/20 0.33
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HK1 P19367 1/20 0.32

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
SCHEMBL208617 0.74 ALOX15 (0.39) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL19678 0.73
SCHEMBL2203 0.70 NPC1 (0.42) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL38709 0.69 ALOX15 (0.32) ALOX15HSD17B10GAAKDM4EMEN1
SCHEMBL29411963 0.67 ALOX15 (0.50) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL124019 0.67 ALOX15 (0.50) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL155050 0.67 MAPT (0.46) MAOBALOX15HSD17B10GAANPSR1
Ethyne SCHEMBL20577213 0.66 PNMT (0.59) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL13590042 0.66 PNMT (0.65) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL29351494 0.66

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 7 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
EP-1987010-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007088277-A1 TRICYCLIC Ν-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-09 WO 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 PNMT 436/4885CD44 4876/4885MAOB 117/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS PNMT 551/4885CD44 4873/4885MAOB 126/4885

“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.