SCHEMBL5705185

SCHEMBL5705185

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 3/20 0.46
RECQL P46063 1/20 0.44
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
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
MEN1 O00255 3/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
TLR9 Q9NR96 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
SCHEMBL6136848 0.91 ALOX15 (0.57) ALOX15MAPK1L3MBTL1HSD17B10ALDH1A1
SCHEMBL6871869 0.88 TDP1 (0.54) ALOX15MAPK1L3MBTL1HSD17B10ALDH1A1
SCHEMBL6067991 0.86 ESR1 (0.42) ALOX15MAPK1L3MBTL1HSD17B10ALDH1A1
SCHEMBL7807658 0.84 ALDH1A1 (0.54) ALOX15MAPK1L3MBTL1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL7800897 0.83 ALDH1A1 (0.53) ALOX15MAPK1L3MBTL1HSD17B10ALDH1A1
SCHEMBL5705018 0.76 CASP1 (0.41) ALOX15MAPK1L3MBTL1HSD17B10ALDH1A1
SCHEMBL5704920 0.76 ALOX15 (0.49) ALOX15MAPK1L3MBTL1HSD17B10ALDH1A1
SCHEMBL11826120 0.75 PDE7A (0.43) ALOX15MAPK1HSD17B10ALDH1A1TDP1
SCHEMBL535242 0.74 ALOX15 (0.74) ALOX15MAPK1L3MBTL1HSD17B10ALDH1A1
SCHEMBL5704897 0.73 CASP1 (0.52) ALDH1A1CYP3A4TSHRMAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128764-B2 M-aminophenol derivatives and coloring agents containing them WELLA AG (DE) 2006-10-31 US claimed
EP-1419148-B1 M-AMINOPHENOL DERIVATIVES AND COLOURING AGENTS CONTAINING THEM WELLA AG (DE) 2006-09-13 EP claimed
US-20040237214-A1 M-aminophenol derivatives and coloring agents containing them Wella GmbH (DE) 2004-12-02 US claimed
CN-1551875-A m-aminophenol derivatives and dyes containing these compounds P&G 2004-12-01 CN claimed
EP-1419148-A1 M-AMINOPHENOL DERIVATIVES AND COLOURING AGENTS CONTAINING THEM Wella Aktiengesellschaft (DE) 2004-05-19 EP claimed
WO-2003018571-A1 M-AMINOPHENOL DERIVATIVES AND COLOURING AGENTS CONTAINING THEM WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 WO claimed
CN-100358887-C m-aminophenol derivatives and dyes containing these compounds P & G CLAIROL INC (US) 2008-01-02 CN disclosed
US-7128764-B2 M-aminophenol derivatives and coloring agents containing them WELLA AG (DE) 2006-10-31 US disclosed
EP-1419148-B1 M-AMINOPHENOL DERIVATIVES AND COLOURING AGENTS CONTAINING THEM WELLA AG (DE) 2006-09-13 EP disclosed
US-20040237214-A1 M-aminophenol derivatives and coloring agents containing them Wella GmbH (DE) 2004-12-02 US disclosed
CN-1551875-A m-aminophenol derivatives and dyes containing these compounds P&G 2004-12-01 CN disclosed
EP-1419148-A1 M-AMINOPHENOL DERIVATIVES AND COLOURING AGENTS CONTAINING THEM Wella Aktiengesellschaft (DE) 2004-05-19 EP disclosed
WO-2003018571-A1 M-AMINOPHENOL DERIVATIVES AND COLOURING AGENTS CONTAINING THEM 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-20040237214-A1 M-aminophenol derivatives and coloring agents containing them ALPP, RB1, TYR ALOX15 4302/4885MAPK1 1092/4885L3MBTL1 3890/4885

“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.