SCHEMBL15037463

SCHEMBL15037463

COC1=C/C(=N/c2ccc(O)cc2)C(N)=CC1=N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100B P04271 1/20 0.36
▸ APP P05067 1/20 0.35
▸ ESR2 Q92731 3/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ ESR1 P03372 2/20 0.34
▸ NOS3 P29474 3/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL11789051 1.00 S100B (0.36) S100BAPPESR2LTA4HESR1
SCHEMBL15037459 0.87 TDP1 (0.39) APPNOS3NOS2HTR3EHTR3B
SCHEMBL15018842 0.85 LTA4H (0.38) ESR2LTA4HESR1NOS3NOS2
SCHEMBL15018839 0.85 LTA4H (0.38) ESR2LTA4HESR1NOS3NOS2
SCHEMBL16369055 0.84 LTA4H (0.42) ESR2LTA4HESR1NOS3NOS2
SCHEMBL15017930 0.83 LTA4H (0.41) LTA4HESR1MEN1LMNAMAPT
SCHEMBL15017928 0.83 LTA4H (0.41) LTA4HESR1MEN1LMNAMAPT
SCHEMBL11794810 0.83 NOS3 (0.34) ESR2NOS3NOS2CA1CA2
SCHEMBL11584573 0.82 PABPC1 (0.42) APPESR2ESR1CA2CA12
SCHEMBL15037462 0.81 CYP19A1 (0.30) APPMGAMGAASIMGAM2

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-9226883-B2 Particular azomethine direct dyes, dye composition comprising at least one such compound, implementation process therefore and use thereof L'OREAL (FR) 2016-01-05 — — US disclosed
US-9226883-B2 Particular azomethine direct dyes, dye composition comprising at least one such compound, implementation process therefore and use thereof L'OREAL (FR) 2016-01-05 — — US disclosed
US-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2015-01-01 — — US disclosed
US-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2015-01-01 — — US disclosed
WO-2013087636-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE 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-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF KRT18, IK, MKI67 S100B 295/4885APP 834/4885ESR2 4149/4885

“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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