SCHEMBL6136945

SCHEMBL6136945

Nc1ccc(O)c(-c2ccc([N+](=O)[O-])s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP2A6 P11509 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 2/20 0.39
THRB P10828 2/20 0.39
TDP1 Q9NUW8 5/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
APP P05067 1/20 0.38
CASP1 P29466 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
Hydrochloric Acid SCHEMBL7198371 0.98 ALOX15 (0.49) ALOX15HSD17B10L3MBTL1MAPK1CYP2A6
SCHEMBL5704959 0.91 ALOX15 (0.49) ALOX15HSD17B10L3MBTL1MAPK1CYP2A6
SCHEMBL6870732 0.81 TDP1 (0.47) ALOX15HSD17B10L3MBTL1MAPK1CYP2A6
Hydrochloric Acid SCHEMBL6865484 0.80 TDP1 (0.46) ALOX15HSD17B10L3MBTL1MAPK1CYP2A6
SCHEMBL6067907 0.76 ESR2 (0.43) ALOX15CYP2A6KMT2AMEN1GAA
SCHEMBL6136824 0.75 ALOX15 (0.49) ALOX15HSD17B10L3MBTL1MAPK1KMT2A
SCHEMBL6932772 0.75 ALOX15 (0.49) ALOX15HSD17B10L3MBTL1MAPK1KMT2A
SCHEMBL6068076 0.72 CYP2A6 (0.49) ALOX15HSD17B10MAPK1CYP2A6KMT2A
SCHEMBL6136905 0.72 PDE10A (0.52) ALOX15HSD17B10L3MBTL1KMT2AMEN1
SCHEMBL6136925 0.72 CA1 (0.47) ALOX15HSD17B10L3MBTL1MAPK1KMT2A

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 2954/4885HSD17B10 702/4885L3MBTL1 4493/4885

“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.