SCHEMBL1147011

SCHEMBL1147011

CC1=C(O)C(=Nc2ccc(CN)cc2)C=C(N(C)c2ccc(N)cc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ NOS3 P29474 2/20 0.31
▸ NOS1 P29475 2/20 0.31
▸ NOS2 P35228 2/20 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
SCHEMBL2456277 0.78 SIGMAR1 (0.33) —
SCHEMBL1147008 0.72 KLKB1 (0.32) —
SCHEMBL1146264 0.71 APAF1 (0.38) NOS3NOS1NOS2
SCHEMBL1146267 0.71 APAF1 (0.38) NOS3NOS1NOS2
SCHEMBL1146671 0.67 APAF1 (0.37) PABPC1
SCHEMBL1146673 0.67 APAF1 (0.37) PABPC1
SCHEMBL1154118 0.61 NOS3 (0.35) PABPC1LOXL2NOS3NOS1NOS2
SCHEMBL1154119 0.61 NOS3 (0.35) PABPC1LOXL2NOS3NOS1NOS2
SCHEMBL27502153 0.60 ABAT (0.67) LOXL2NOS3NOS1NOS2
SCHEMBL13525222 0.59 PABPC1 (0.36) PABPC1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8066782-B2 Azomethine direct dyes or reduced precursors of azomethine direct dyes obtained from 2-alkylresorcinols, and hair dyeing process using these dyes or precursors L'OREAL S.A. (FR) 2011-11-29 — — US disclosed
EP-2231586-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS OREAL (FR) 2011-09-28 — — EP disclosed
US-20110041263-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS L'OREAL S.A. (FR) 2011-02-24 — — US disclosed
EP-2231586-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS L'Oréal (FR) 2010-09-29 — — EP disclosed
WO-2009077391-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS L'OREAL (FR) 2009-06-25 — — 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-20110041263-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF AZOMETHINE DIRECT DYES OBTAINED FROM 2-ALKYLRESORCINOLS, AND HAIR DYEING PROCESS USING THESE DYES OR PRECURSORS KRT18, AKR1C4, AKR1C1 PABPC1 3791/4885LOXL2 4107/4885NOS3 1222/4885

“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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