SCHEMBL840476

SCHEMBL840476

O=[N+]([O-])c1ccc2c(c1)nc1n2CCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
ALDH1A1 P00352 6/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.60
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.49
LMNA P02545 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
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4459931 0.84 MAPT (0.51) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10849420 0.82 TDP1 (0.64) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11083539 0.80 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL839545 0.80 RAB9A (0.67) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL839548 0.80 MAPT (0.62) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2050003 0.78 KMT2A (0.60) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9766524 0.75 SMN1; SMN2 (0.42) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11307987 0.74 ACHE (0.57) MAPTALDH1A1RAB9APOLBKMT2A
SCHEMBL3021566 0.74 SMN1; SMN2 (0.60) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL830906 0.74 KDM4E (0.60) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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 4 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
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 MAPT 3000/4885ALDH1A1 453/4885RAB9A 2495/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS MAPT 3347/4885ALDH1A1 484/4885RAB9A 2602/4885

“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.