SCHEMBL2056822

SCHEMBL2056822

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.52
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 2/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
LMNA P02545 1/20 0.42
NSD2 O96028 1/20 0.42
GAA P10253 1/20 0.42
PLCG1 P19174 1/20 0.42
DNMT1 P26358 1/20 0.42
CASP6 P55212 1/20 0.42

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
SCHEMBL2056736 0.87 GPR35 (0.50) GPR35TSHRCYP1A2ALDH1A1CYP3A4
SCHEMBL3500607 0.85 GPR35 (0.57) GPR35TSHRCYP1A2ALDH1A1CYP3A4
SCHEMBL29262876 0.82 GPR35 (0.63) GPR35CYP1A2ALDH1A1ALOX15RECQL
SCHEMBL2100657 0.81 TSHR (0.55) GPR35TSHRCYP1A2ALDH1A1CYP3A4
SCHEMBL10981846 0.81 TSHR (0.55) GPR35TSHRCYP1A2ALDH1A1CYP3A4
SCHEMBL1828689 0.78 TSHR (0.48) TSHRCYP1A2ALDH1A1CYP3A4ALOX15
SCHEMBL11095264 0.78 ALOX15 (0.58) GPR35TSHRCYP1A2ALDH1A1CYP3A4
Nitric Acid SCHEMBL11648056 0.78 TSHR (0.44) GPR35TSHRCYP1A2ALDH1A1CYP3A4
SCHEMBL9500870 0.77 GPR35 (0.68) GPR35CYP1A2ALDH1A1ALOX15RECQL
SCHEMBL314000 0.77 TSHR (0.61) GPR35TSHRCYP1A2ALDH1A1CYP3A4

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 2 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
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 2123/4885TSHR 3365/4885CYP1A2 154/4885

“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.