SCHEMBL5705018

SCHEMBL5705018

Nc1ccc(-c2sccc2N)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP3A4 P08684 2/20 0.37
PTPN1 P18031 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
PDE10A Q9Y233 1/20 0.36
ESR1 P03372 2/20 0.36
ALOX15 P16050 4/20 0.35
HSD17B10 Q99714 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL6068334 0.85 ESR1 (0.47) ALDH1A1KDM4EGAAMAPTESR2
SCHEMBL6872296 0.84 CASP1 (0.37) CASP1TSHRALDH1A1KDM4EGAA
SCHEMBL5704897 0.81 CASP1 (0.52) CASP1TSHRALDH1A1KDM4EGAA
SCHEMBL5704963 0.81 CA1 (0.47) CASP1TSHRALDH1A1KDM4EGAA
SCHEMBL5862463 0.79 CASP1 (0.35) CASP1TSHRALDH1A1KDM4EGAA
SCHEMBL5704865 0.78 MAPT (0.36) CASP1TSHRALDH1A1KDM4EGAA
SCHEMBL5704965 0.76 KDM4E (0.44) CASP1TSHRALDH1A1KDM4EGAA
SCHEMBL5705185 0.76 ALOX15 (0.56) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL5704974 0.74 CASP1 (0.42) CASP1TSHRALDH1A1KDM4EGAA
SCHEMBL483397 0.73 CASP1 (0.59) CASP1TSHRALDH1A1KDM4EGAA

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 CASP1 3928/4885TSHR 1083/4885ALDH1A1 145/4885

“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.