SCHEMBL5685368

SCHEMBL5685368

Nc1ccc(-c2cnccc2[N+](=O)[O-])c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 6/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
RECQL P46063 1/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
TLR9 Q9NR96 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
GPR35 Q9HC97 2/20 0.37

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
SCHEMBL7089017 0.85 ALDH1A1 (0.53) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL2936060 0.78 ALDH1A1 (0.46) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL5687616 0.78 CA1 (0.37) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL5685046 0.78 ALOX15 (0.61) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL488895 0.75 GPR35 (0.47) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL5687575 0.74 TSHR (0.50) CYP3A4TSHRTDP1
SCHEMBL5684611 0.74 CA1 (0.46) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL7085458 0.73 ALDH1A1 (0.53) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL535242 0.73 ALOX15 (0.74) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL5704924 0.72 ALOX15 (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7077872-B2 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AG (DE) 2006-07-18 US disclosed
EP-1418879-B1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 2006-04-12 EP disclosed
US-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AKTIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
EP-1418879-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 2004-05-19 EP disclosed
WO-2003017955-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 WO 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-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives KRT18, S100P, ALDH7A1 ALOX15 4289/4885MAPK1 406/4885HSD17B10 483/4885

“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.