SCHEMBL839847

SCHEMBL839847

O=[N+]([O-])c1ccc2c(c1)nc1cnccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAD51 Q06609 1/20 0.44
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP19A1 P11511 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2D6 P10635 1/20 0.39
GLS O94925 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL831025 0.89 ALDH1A1 (0.50) SLC6A2ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL3126879 0.72 MAPT (0.55) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8136927 0.71 CYP1A2 (0.51) SLC6A2ALDH1A1MAPTCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL831427 0.71 MAPT (0.54) SLC6A2ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL9039325 0.69 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10175106 0.68 ALDH1A1 (0.56) ALDH1A1MAPTLMNAPKMRAB9A
SCHEMBL588563 0.66 RAB9A (0.62) ALDH1A1MAPTLMNAPKMRAB9A
SCHEMBL2263558 0.66 SLC6A2 (0.51) SLC6A2ALDH1A1MAPTLMNAGAA
SCHEMBL31735887 0.65 CDC7 (0.51) SLC6A2ALDH1A1MAPTCYP19A1GLS
SCHEMBL4978556 0.65 ALDH1A1 (0.55) ALDH1A1MAPTLMNAPKMRAB9A

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
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 SLC6A2 2657/4885ALDH1A1 453/4885MAPT 3000/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS SLC6A2 2933/4885ALDH1A1 484/4885MAPT 3347/4885

“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.