SCHEMBL15039275

SCHEMBL15039275

Cc1cc(NC2=CC(=O)C(N(C)CCO)=CC2=O)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ DNM1 Q05193 1/20 0.36
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK13 O15264 1/20 0.30
▸ MAPK12 P53778 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL15039277 0.87 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4THRBALOX15
SCHEMBL15039377 0.85 KDR (0.36) ALDH1A1TDP1CYP3A4DNM1CA12
SCHEMBL15039382 0.84 DNM1 (0.44) ALDH1A1TDP1CYP3A4THRBDNM1
SCHEMBL15039378 0.83 DNM1 (0.36) DNM1
SCHEMBL15039281 0.82 — —
SCHEMBL15039374 0.80 DNM1 (0.61) ALDH1A1TDP1THRBRECQLDNM1
SCHEMBL15020216 0.80 — —
SCHEMBL15020450 0.79 DNM1 (0.39) ALDH1A1TDP1CYP3A4HIF1ADNM1
SCHEMBL15039375 0.78 DNM1 (0.43) ALDH1A1TDP1THRBRECQLDNM1
SCHEMBL15039274 0.77 KDR (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP claimed
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP disclosed
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP disclosed
US-9233057-B2 Particular quinone direct dyes, dye composition comprising at least one such dye, implementation process therefor and use thereof L'OREAL (FR) 2016-01-12 — — US disclosed
US-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-12-11 — — US disclosed
WO-2013087770-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF 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-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, SQOR, NDUFB7 ALDH1A1 330/4885TDP1 2000/4885CYP3A4 653/4885

“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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