SCHEMBL839545

SCHEMBL839545

CN1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.67
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 6/20 0.64
MAPT P10636 5/20 0.64
NPC1 O15118 1/20 0.64
POLB P06746 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PKM P14618 1/20 0.49
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
CYP2D6 P10635 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL840476 0.80 MAPT (0.66) RAB9AMAPK1ALDH1A1MAPTNPC1
SCHEMBL839902 0.78 MAPT (0.57) RAB9AMAPK1ALDH1A1MAPTNPC1
SCHEMBL10464966 0.77 MAPT (0.50) RAB9AMAPK1ALDH1A1MAPTNPC1
SCHEMBL839548 0.76 MAPT (0.62) RAB9AMAPK1ALDH1A1MAPTNPC1
SCHEMBL839843 0.76 ALDH1A1 (0.41) RAB9AMAPK1ALDH1A1MAPTNPC1
SCHEMBL17809483 0.76 GRM2 (0.49) ALDH1A1SMN1; SMN2PKMKMT2ALMNA
SCHEMBL17809479 0.76 GRM2 (0.49) ALDH1A1MAPTKMT2ALMNAPIK3CA
SCHEMBL18034947 0.74 GRM2 (0.53) RAB9AMAPK1ALDH1A1MAPTNPC1
SCHEMBL840460 0.74 MAPT (0.55) RAB9AMAPK1ALDH1A1MAPTNPC1
SCHEMBL23940003 0.74 KMT2A (0.47) RAB9AMAPK1ALDH1A1MAPTNPC1

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 6 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
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 RAB9A 2495/4885MAPK1 4560/4885ALDH1A1 453/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS RAB9A 2602/4885MAPK1 4651/4885ALDH1A1 484/4885

“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.