SCHEMBL4892420

SCHEMBL4892420

Cc1ccccc1NC(O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2230553 0.77 NPC1 (0.48) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL26385190 0.77 NPC1 (0.48) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL21675477 0.72 MAPT (0.46) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL21935089 0.72 TDP1 (0.50) ALDH1A1MAPTGAATDP1PDK1
SCHEMBL30461968 0.72 MAPT (0.50) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL245209 0.72 MAPT (0.50) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL4750832 0.72 MAPT (0.50) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL20206272 0.71 NPC1 (0.42) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL1050294 0.69 HTT (0.43) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL23747256 0.69 MAPT (0.44) NPC1RAB9AHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 — — US disclosed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 — — 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-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR NPC1 2882/4885RAB9A 2219/4885HPGD 1107/4885

“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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