4-Nitrocatechol

4-Nitrocatechol

SCHEMBL1608536

O=[N+]([O-])c1ccc(O)c(O)c1.O=[N+]([O-])c1ccc(O)c(O)c1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
ALDH1A1 P00352 4/20 0.69
GPR35 Q9HC97 3/20 0.69
HPGD P15428 2/20 0.69
MAPK1 P28482 2/20 0.69
TP53 P04637 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
GAA P10253 1/20 0.67
THRB P10828 1/20 0.67
ERN1 O75460 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.55
ALOX15 P16050 2/20 0.54
HSP90AA1 P07900 1/20 0.53
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 3/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
TTR P02766 1/20 0.52
CYP1A2 P05177 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
4-Nitrocatechol SCHEMBL11765698 1.00 TSHR (0.69) TSHRALDH1A1GPR35HPGDMAPK1
4-Nitrocatechol SCHEMBL156909 1.00 TSHR (0.69) TSHRALDH1A1GPR35HPGDMAPK1
4-Nitrocatechol SCHEMBL4071135 0.98 ALDH1A1 (0.67) TSHRALDH1A1GPR35HPGDMAPK1
4-Nitrocatechol SCHEMBL28290085 0.98 ALDH1A1 (0.67) TSHRALDH1A1GPR35HPGDMAPK1
4-Nitrocatechol SCHEMBL2977452 0.92 GPR35 (0.60) TSHRALDH1A1GPR35HPGDMAPK1
4-Nitrocatechol SCHEMBL28778474 0.92 ALDH1A1 (0.60) TSHRALDH1A1GPR35HPGDMAPK1
4-Nitrocatechol SCHEMBL2977451 0.92 GPR35 (0.60) TSHRALDH1A1GPR35HPGDMAPK1
4-Nitrocatechol SCHEMBL30262908 0.90 GPR35 (0.58) TSHRALDH1A1GPR35HPGDMAPK1
4-Nitrocatechol SCHEMBL27738244 0.87 GPR35 (0.55) TSHRALDH1A1GPR35HPGDMAPK1
SCHEMBL11028069 0.86 GPR35 (0.69) TSHRALDH1A1GPR35HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, INC. 2011-04-07 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-20110080458-A1 NOVEL DYES AND USE THEREOF IN IMAGING MEMBERS AND METHODS CACYBP, KLHDC2, ZKSCAN2 TSHR 4572/4885ALDH1A1 3328/4885GPR35 3111/4885

“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.