SCHEMBL2056736

SCHEMBL2056736

Cc1c([N+](=O)[O-])cc(O)c(N)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.50
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CYP1A2 P05177 2/20 0.43
RECQL P46063 2/20 0.43
SNCA P37840 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 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
SCHEMBL20675826 0.87 ALDH1A1 (0.49) GPR35ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL2056822 0.87 GPR35 (0.52) GPR35ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL18874784 0.82 GPR35 (0.55) GPR35ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL11749237 0.79 ALDH1A1 (0.49) GPR35ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL5586659 0.79 GPR35 (0.55) GPR35ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL11095264 0.77 ALOX15 (0.58) GPR35ALDH1A1CYP3A4ALOX15MAPK1
SCHEMBL29262876 0.76 GPR35 (0.63) GPR35ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL10981846 0.76 TSHR (0.55) GPR35ALDH1A1CYP3A4ALOX15L3MBTL1
SCHEMBL21143325 0.76 GPR35 (0.52) GPR35ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL11095256 0.76 GPR35 (0.62) GPR35ALDH1A1CYP3A4ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052537-A1 NITRO-BASED EXPLOSIVE REMEDIATION STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY 2011-03-03 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
WO-2009026184-A1 NITRO-BASED EXPLOSIVE REMEDIATION STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2009-02-26 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 (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-20110052537-A1 NITRO-BASED EXPLOSIVE REMEDIATION TET1, ALKBH1, NQO1 GPR35 2123/4885ALDH1A1 127/4885CYP3A4 412/4885

“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.