SCHEMBL4382146

SCHEMBL4382146

CC(=NN)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
MAPT P10636 6/20 0.62
KMT2A Q03164 4/20 0.62
KDM4E B2RXH2 2/20 0.62
TSHR P16473 3/20 0.60
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
TP53 P04637 1/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
GAA P10253 2/20 0.56
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 3/20 0.52
POLB P06746 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL18091684 1.00 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AKDM4ETSHR
SCHEMBL5484238 0.85 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AKDM4ETSHR
SCHEMBL5484236 0.85 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AKDM4ETSHR
Water SCHEMBL11590842 0.83 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AKDM4ETSHR
SCHEMBL15851064 0.81 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AKDM4ETSHR
SCHEMBL7645485 0.80 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AKDM4ETSHR
SCHEMBL4703427 0.80 CYP1A2 (0.56) ALDH1A1MAPTKMT2AKDM4ETSHR
SCHEMBL4703428 0.80 CYP1A2 (0.56) ALDH1A1MAPTKMT2AKDM4ETSHR
SCHEMBL27743048 0.80 CYP1A2 (0.56) ALDH1A1MAPTKMT2AKDM4ETSHR
SCHEMBL18862976 0.79 MAPK1 (0.60) ALDH1A1MAPTKMT2AKDM4ETSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US claimed
EP-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 EP claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 US claimed
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 WO claimed
US-9663463-B2 3-azabicyclo[3.1.0]hexane derivative and use thereof for medical purpose SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2017-05-30 US disclosed
US-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2016-09-29 US disclosed
EP-3072884-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2016-09-28 EP disclosed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US disclosed
EP-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 EP disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 US disclosed
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 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 (3 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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM ALDH1A1 4718/4885MAPT 3062/4885KMT2A 3792/4885
US-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE OPRM1, OPRD1, OPRK1 ALDH1A1 610/4885MAPT 4576/4885KMT2A 3156/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 ALDH1A1 4655/4885MAPT 2046/4885KMT2A 3324/4885

“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.