SCHEMBL4368022

SCHEMBL4368022

Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.54
ALDH1A1 P00352 5/20 0.52
SNCA P37840 1/20 0.50
CYP1A2 P05177 2/20 0.48
TSHR P16473 5/20 0.48
CYP3A4 P08684 3/20 0.48
ALOX15 P16050 2/20 0.47
ALOX12 P18054 2/20 0.47
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
RECQL P46063 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL29535223 0.89 GPR35 (0.52) GPR35ALDH1A1SNCACYP1A2TSHR
SCHEMBL10266188 0.89 GPR35 (0.52) GPR35ALDH1A1SNCACYP1A2TSHR
SCHEMBL799388 0.89 GPR35 (0.52) GPR35ALDH1A1SNCACYP1A2TSHR
SCHEMBL11547714 0.84 GPR35 (0.52) GPR35ALDH1A1SNCACYP1A2TSHR
SCHEMBL56647 0.84 GPR35 (0.47) GPR35ALDH1A1SNCACYP1A2CYP3A4
SCHEMBL21835253 0.84 GPR35 (0.47) GPR35ALDH1A1CYP1A2TSHRALOX15
SCHEMBL10549400 0.84 CYP1A2 (0.47) GPR35ALDH1A1SNCACYP1A2TSHR
SCHEMBL30041049 0.84 GPR35 (0.47) GPR35ALDH1A1CYP1A2TSHRALOX15
SCHEMBL810599 0.84 ALDH1A1 (0.58) GPR35ALDH1A1CYP1A2TSHRCYP3A4
SCHEMBL200006 0.84 ALDH1A1 (0.53) GPR35ALDH1A1CYP1A2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO disclosed
US-4323682-A BLEACHING CATALYSTS CIBA GEIGY AG (CH) 1982-04-06 US disclosed
US-4202698-A DYE BLEACH CATALYSTS CIBA-GEIGY AG (CH) 1980-05-13 US disclosed
EP-0010396-A1 Fungicidal and herbicidal compositions, certain cyanomethane and cyanoethene derivatives being active agents thereof, the preparation of these derivatives and methods for combating fungi and weeds FBC LIMITED (GB) 1980-04-30 EP 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS GPR35 1151/4885ALDH1A1 255/4885SNCA 2799/4885

“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.