SCHEMBL10046785

SCHEMBL10046785

Cc1cc(/N=C2/C=C(Nc3ccc(N)c(C)c3)C(=O)C=C2N)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DNM1 Q05193 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL15315668 0.96 TSHR (0.41) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15039680 0.91 CYP3A4 (0.41) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15020227 0.91 CYP3A4 (0.41) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15020225 0.91 CYP3A4 (0.41) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15315667 0.83 ALDH1A1 (0.37) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15020203 0.82 DNM1 (0.32) DNM1MEN1KMT2A
SCHEMBL15020202 0.82 DNM1 (0.32) DNM1MEN1KMT2A
SCHEMBL15039491 0.82 DNM1 (0.32) DNM1MEN1KMT2A
SCHEMBL15019799 0.78 IDO1 (0.40) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15019795 0.78 IDO1 (0.40) CYP3A4TDP1ALDH1A1THRBALOX15

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-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE L'OREAL (FR) 2013-10-17 — — US disclosed
WO-2012084817-A2 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE L'OREAL (FR) 2012-06-28 — — 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-20130269120-A1 DYE COMPOSITION COMPRISING BENZYL ALCOHOL, A MONOALCOHOL AND A PARTICULAR DIRECT DYE ADH1C, ADH1A, ADH5 CYP3A4 152/4885TDP1 4178/4885ALDH1A1 9/4885

“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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