SCHEMBL840124

SCHEMBL840124

O=[N+]([O-])c1ccc(Br)c(N=C(Cl)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
TSHR P16473 3/20 0.40
GPR35 Q9HC97 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
PDE7A Q13946 1/20 0.39
PMM2 O15305 1/20 0.39
MPI P34949 1/20 0.39
PLAU P00749 1/20 0.39
GAA P10253 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
SCHEMBL3672262 0.81 HSD17B10 (0.56) HSD17B10MAPK1SMN1; SMN2LMNANPC1
SCHEMBL1945604 0.75 TXNRD1 (0.42) HSD17B10MAPK1SMN1; SMN2LMNANPC1
SCHEMBL450293 0.72 ALDH1A1 (0.52) HSD17B10MAPK1SMN1; SMN2LMNAHTT
SCHEMBL3277269 0.72 PTPRC (0.54) HSD17B10MAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL30317899 0.72 PTPRC (0.54) HSD17B10MAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL527809 0.71 HSD17B10 (0.67) HSD17B10LMNAALDH1A1PTPRCS100A4
SCHEMBL30962630 0.71 HSD17B10 (0.67) HSD17B10LMNAALDH1A1PTPRCS100A4
SCHEMBL526702 0.71 GPR35 (0.62) HSD17B10MAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7741732 0.70 PTPRC (0.63) HSD17B10MAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL11878505 0.70 PLAU (0.54) ALDH1A1CYP3A4TDP1PLAUGAA

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 8 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-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-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 HSD17B10 1905/4885MAPK1 4560/4885SMN1; SMN2 3560/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS HSD17B10 1941/4885MAPK1 4651/4885SMN1; SMN2 3750/4885

“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.