SCHEMBL15039552

SCHEMBL15039552

CCCC1=C(N)/C(=N\c2ccc(O)c(Cl)c2)C=C(Nc2ccc(O)c(Cl)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ GSK3B P49841 4/20 0.32
▸ STK10 O94804 2/20 0.31
▸ SLK Q9H2G2 2/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ BRDT Q58F21 1/20 0.30
▸ MAPT P10636 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
SCHEMBL15036504 0.90 IDO1 (0.35) PTGS1PTGS2IDO1TDO2GSK3B
SCHEMBL16426672 0.75 IDO1 (0.42) PTGS1PTGS2IDO1TDO2GSK3B
SCHEMBL15020065 0.75 DNM1 (0.42) PTGS1PTGS2IDO1TDO2GSK3B
SCHEMBL15039580 0.75 DNM1 (0.42) PTGS1PTGS2IDO1TDO2GSK3B
SCHEMBL15020067 0.75 DNM1 (0.42) PTGS1PTGS2IDO1TDO2GSK3B
SCHEMBL15020486 0.74 DNM1 (0.38) PTGS1PTGS2IDO1TDO2GSK3B
SCHEMBL15020488 0.74 DNM1 (0.38) PTGS1PTGS2IDO1TDO2GSK3B
SCHEMBL16426675 0.74 DNM1 (0.38) PTGS1PTGS2IDO1TDO2GSK3B
SCHEMBL16426665 0.73 RAB9A (0.34) MAPT
SCHEMBL15020051 0.73 ALDH1A1 (0.33) MAPT

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 PTGS1 2413/4885PTGS2 3236/4885IDO1 238/4885

“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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