SCHEMBL6136848

SCHEMBL6136848

Nc1ccc(O)c(-c2sccc2[N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.57
MAPK1 P28482 2/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 3/20 0.44
RECQL P46063 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
GPR35 Q9HC97 3/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL5705185 0.91 ALOX15 (0.56) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL7807658 0.85 ALDH1A1 (0.54) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL7800897 0.84 ALDH1A1 (0.53) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL6871869 0.82 TDP1 (0.54) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL6067991 0.77 ESR1 (0.42) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL6573424 0.74 MAPK1 (0.62) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL56850 0.73 ALOX15 (1.00) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL29960275 0.73 ALOX15 (1.00) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL6136935 0.73 PDE10A (0.55) ALOX15HSD17B10L3MBTL1ALDH1A1TDP1
SCHEMBL6137031 0.73 CA1 (0.50) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153917-B1 p-Aminophenol derivatives and colorants containing them WELLA AG (DE) 2005-04-13 EP claimed
US-6592631-B2 Useful as developer compounds in oxidation dye compositions for keratin fibers. WELLA AG (DE) 2003-07-15 US claimed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US claimed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 EP claimed
EP-1153917-B1 p-Aminophenol derivatives and colorants containing them WELLA AG (DE) 2005-04-13 EP disclosed
US-6592631-B2 Useful as developer compounds in oxidation dye compositions for keratin fibers. WELLA AG (DE) 2003-07-15 US disclosed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US disclosed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 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-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P ALOX15 2954/4885MAPK1 285/4885HSD17B10 702/4885

“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.