SCHEMBL15039377

SCHEMBL15039377

COc1cc(NC2=CC(=O)C(N(C)CCO)=CC2=O)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.36
▸ DNM1 Q05193 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ IDO1 P14902 2/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL15020967 0.88 MAPT (0.33) KDRDNM1ALDH1A1TSHRMAPT
SCHEMBL15039275 0.85 ALDH1A1 (0.42) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL15039382 0.81 DNM1 (0.44) DNM1ALDH1A1MAPTCYP3A4TDP1
SCHEMBL15039274 0.79 KDR (0.38) KDRMEN1KMT2A
SCHEMBL15039374 0.77 DNM1 (0.61) DNM1ALDH1A1MAPTTDP1HTT
SCHEMBL15020450 0.76 DNM1 (0.39) DNM1ALDH1A1TSHRMAPTCYP3A4
SCHEMBL15039375 0.75 DNM1 (0.43) DNM1ALDH1A1MAPTTDP1HTT
SCHEMBL15020216 0.74 — —
SCHEMBL15039277 0.73 ALDH1A1 (0.39) DNM1ALDH1A1TSHRMAPTCYP3A4
SCHEMBL15039280 0.73 — —

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 KDR 3778/4885DNM1 961/4885ALDH1A1 330/4885

“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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