SCHEMBL840460

SCHEMBL840460

CN1Cn2c1nc1cc([N+](=O)[O-])ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 7/20 0.49
PKM P14618 2/20 0.49
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 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
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.43
APOBEC3A P31941 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL839902 0.87 MAPT (0.57) MAPTALDH1A1PKMKMT2ALMNA
SCHEMBL25598188 0.75 ALDH1A1 (0.66) MAPTALDH1A1PKMKMT2ALMNA
SCHEMBL839545 0.74 RAB9A (0.67) MAPTALDH1A1PKMKMT2ALMNA
SCHEMBL3566734 0.73 ALDH1A1 (0.54) MAPTALDH1A1PKMKMT2ALMNA
SCHEMBL31349373 0.73 ALDH1A1 (0.54) MAPTALDH1A1PKMKMT2ALMNA
SCHEMBL588563 0.73 RAB9A (0.62) MAPTALDH1A1PKMKMT2ALMNA
Hydrochloric Acid SCHEMBL11675802 0.72 MAPT (0.63) MAPTALDH1A1PKMKMT2ALMNA
SCHEMBL10464966 0.72 MAPT (0.50) MAPTALDH1A1PKMKMT2ALMNA
SCHEMBL4978822 0.72 ALDH1A1 (0.55) MAPTALDH1A1PKMKMT2ALMNA
Ammonia Solution, Strong SCHEMBL20358007 0.72 RAB9A (0.60) MAPTALDH1A1PKMKMT2ALMNA

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 453/4885PKM 554/4885
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 484/4885PKM 662/4885

“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.