SCHEMBL3043863

SCHEMBL3043863

O=[N+]([O-])c1ccccc1-c1nc2cc(Cl)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 4/20 0.61
CASP3 P42574 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
SENP8 Q96LD8 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 6/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
F2 P00734 1/20 0.55
C1R P00736 1/20 0.55
CETP P11597 1/20 0.53
HPGD P15428 4/20 0.51
TP53 P04637 3/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 2/20 0.49

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
SCHEMBL28335514 0.85 RAB9A (0.69) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3051786 0.84 MMP2 (0.61) NPC1RAB9AKDM4EALDH1A1CASP3
SCHEMBL3043855 0.84 MAPT (0.61) NPC1RAB9AKDM4EALDH1A1CASP3
SCHEMBL2252128 0.83 MAPT (0.68) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21747490 0.81 MAPT (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21747464 0.81 MAPT (0.55) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4505279 0.78 MAPT (0.58) NPC1RAB9AKDM4EALDH1A1CASP3
SCHEMBL15413444 0.78 RAB9A (0.66) NPC1RAB9AKDM4EALDH1A1CASP3
SCHEMBL31451549 0.78 KLK3 (0.58) NPC1RAB9AKDM4EALDH1A1CASP3
SCHEMBL9867803 0.77 MAPT (0.56) NPC1RAB9AKDM4EALDH1A1CASP3

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
EP-2479282-B1 Media including nitroreductase enzymatic substrates BIOMERIEUX SA (FR) 2018-03-28 EP disclosed
EP-2155893-B1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX SA (FR) 2016-10-19 EP disclosed
EP-2479282-A1 Media including nitroreductase enzymatic substrates bioMérieux (FR) 2012-07-25 EP disclosed
US-8211662-B2 Nitroreductase enzymatic substrates BIOMERIEUX (FR) 2012-07-03 US disclosed
US-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX (FR) 2010-09-02 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 (1 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-20100221764-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES CBR1, CBR3, XDH NPC1 2202/4885RAB9A 4678/4885KDM4E 1757/4885

“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.