SCHEMBL6095138

SCHEMBL6095138

NC(=O)/C=C/c1cc(N)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PELI1 Q96FA3 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TNF P01375 1/20 0.44
▸ HSPD1 P10809 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CASP7 P55210 1/20 0.44

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
SCHEMBL6095141 1.00 PELI1 (0.54) PELI1ALDH1A1KDM4EMEN1CYP2C9
SCHEMBL27516296 0.85 PELI1 (0.47) PELI1ALDH1A1KDM4EMEN1CYP2C9
SCHEMBL5595108 0.85 PELI1 (0.47) PELI1ALDH1A1KDM4EMEN1CYP2C9
SCHEMBL6094245 0.85 CA1 (0.56) ALDH1A1KDM4EMEN1CYP2C9HPGD
SCHEMBL6094250 0.85 CA1 (0.56) ALDH1A1KDM4EMEN1CYP2C9HPGD
SCHEMBL6138666 0.83 PELI1 (0.41) PELI1ALDH1A1KDM4EMEN1CYP2C9
SCHEMBL6138670 0.83 PELI1 (0.41) PELI1ALDH1A1KDM4EMEN1CYP2C9
Water SCHEMBL11694970 0.81 ALDH1A1 (0.60) PELI1ALDH1A1KDM4EMEN1CYP2C9
SCHEMBL19826784 0.80 PELI1 (0.53) PELI1ALDH1A1KDM4EMEN1CYP2C9
SCHEMBL19813877 0.80 ERN1 (0.56) PELI1ALDH1A1KDM4EMEN1CYP2C9

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-7070626-B2 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-04 — — US disclosed
EP-1286953-B1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-18 — — EP disclosed
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 — — US disclosed
EP-1286953-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-03-05 — — EP disclosed
WO-2002079144-A1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-10 — — 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-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK PELI1 1293/4885ALDH1A1 36/4885KDM4E 3412/4885

“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.

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