SCHEMBL6136824

SCHEMBL6136824

Nc1ccc(O)c(-c2cc([N+](=O)[O-])cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 2/20 0.39
GPR35 Q9HC97 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5705069 0.91 ALOX15 (0.47) ALOX15MAPK1HSD17B10L3MBTL1GAA
SCHEMBL6871805 0.82 ALDH1A1 (0.46) ALOX15MAPK1HSD17B10L3MBTL1GAA
SCHEMBL6068115 0.77 ALDH1A1 (0.47) ALOX15MAPK1GAATHRBKMT2A
SCHEMBL6067941 0.75 TSHR (0.44) ALOX15MAPK1GAATHRBKMT2A
SCHEMBL6029637 0.75 ALDH1A1 (0.55) ALOX15MAPK1HSD17B10L3MBTL1GAA
SCHEMBL6136945 0.75 ALOX15 (0.50) ALOX15MAPK1HSD17B10L3MBTL1GAA
Hydrochloric Acid SCHEMBL6777643 0.74 ALDH1A1 (0.53) ALOX15MAPK1HSD17B10L3MBTL1GAA
SCHEMBL6932772 0.73 ALOX15 (0.49) ALOX15MAPK1HSD17B10L3MBTL1GAA
Hydrochloric Acid SCHEMBL7198371 0.73 ALOX15 (0.49) ALOX15MAPK1HSD17B10L3MBTL1GAA
SCHEMBL6136947 0.73 CA1 (0.46) ALOX15MAPK1HSD17B10L3MBTL1GAA

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.