SCHEMBL5688039

SCHEMBL5688039

Nc1ccc(-c2ccc(N)c(N)c2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ALOX15 P16050 5/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ CASP1 P29466 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ PTPN1 P18031 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
SCHEMBL29875613 0.88 ALOX15 (0.64) TDP1MEN1KMT2AALOX15CYP3A4
SCHEMBL6573521 0.86 MEN1 (0.50) TDP1MEN1KMT2AALOX15CYP3A4
SCHEMBL6011406 0.83 TDP1 (0.56) TDP1MEN1KMT2AALOX15CYP3A4
SCHEMBL3786781 0.82 CASP1 (0.50) TDP1MEN1KMT2AALOX15CYP3A4
Hydrochloric Acid SCHEMBL31485534 0.81 TDP1 (0.54) TDP1MEN1KMT2AALOX15CYP3A4
SCHEMBL5685022 0.81 APP (0.56) TDP1MEN1KMT2AALOX15CYP3A4
SCHEMBL5685027 0.78 CASP1 (0.52) ALOX15CYP3A4HSD17B10CASP1TSHR
SCHEMBL1690091 0.78 TDP1 (0.64) TDP1MEN1KMT2AALOX15CYP3A4
SCHEMBL6011491 0.78 CYP3A4 (0.61) TDP1MEN1KMT2AALOX15CYP3A4
SCHEMBL6011178 0.78 ALDH1A1 (0.52) TDP1MEN1KMT2AALOX15CYP3A4

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 3 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

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 TDP1 2996/4885MEN1 4763/4885KMT2A 1470/4885

“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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