SCHEMBL15039680

SCHEMBL15039680

Cc1cc(/N=C2/C=C(Nc3ccc(N)c(C)c3)C(=O)C=C2Nc2ccc(N)c(C)c2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ DNM1 Q05193 1/20 0.36
▸ TSHR P16473 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ TDP2 O95551 1/20 0.30
▸ NSD2 O96028 1/20 0.30

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
SCHEMBL15020227 1.00 CYP3A4 (0.41) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15020225 1.00 CYP3A4 (0.41) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL10046785 0.91 CYP3A4 (0.40) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15315668 0.88 TSHR (0.41) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15019795 0.79 IDO1 (0.40) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15019799 0.79 IDO1 (0.40) CYP3A4TDP1ALDH1A1THRBALOX15
SCHEMBL15020148 0.76 DNM1 (0.46) CYP3A4TDP1ALDH1A1ALOX15DNM1
SCHEMBL15020149 0.76 DNM1 (0.46) CYP3A4TDP1ALDH1A1ALOX15DNM1
SCHEMBL15039674 0.76 DNM1 (0.46) CYP3A4TDP1ALDH1A1ALOX15DNM1
SCHEMBL15020196 0.76 MAPT (0.43) CYP3A4TDP1ALDH1A1THRBRECQL

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-9554977-B2 Triaromatic azomethine direct dyes, dye composition comprising at least one such dye, method of implementation and use L'OREAL (FR) 2017-01-31 — — US disclosed
US-20150320660-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2015-11-12 — — US disclosed
WO-2013087768-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2013-06-20 — — 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-20150320660-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE KRT18, MKI67, CDC73 CYP3A4 231/4885TDP1 1636/4885ALDH1A1 235/4885

“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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