SCHEMBL1153823

SCHEMBL1153823

CC1=C/C(=N/c2ccc(N)c(C)c2)C(N)=C(Cl)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP2 O95551 1/20 0.30
▸ NSD2 O96028 1/20 0.30
▸ HK1 P19367 1/20 0.30
▸ PAX8 Q06710 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
SCHEMBL1153825 1.00 CYP3A4 (0.36) CYP3A4TDP1TSHRTP53MAPK1
SCHEMBL12052158 0.82 PABPC1 (0.35) TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL1154049 0.82 PABPC1 (0.35) TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL1154051 0.82 PABPC1 (0.35) TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL12052159 0.80 CA2 (0.35) —
SCHEMBL1154534 0.80 CA2 (0.35) —
SCHEMBL1154536 0.80 CA2 (0.35) —
SCHEMBL12052186 0.78 CA12 (0.40) —
SCHEMBL1154119 0.78 NOS3 (0.35) SMN1; SMN2
SCHEMBL1154494 0.78 CA12 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8083809-B2 Azomethine direct dyes or reduced precursors of these dyes obtained from 2-chloro-3-amino-6-methylphenol, and hair dyeing method starting from these dyes and precursors L'OREAL S.A. (FR) 2011-12-27 — — US claimed
EP-2229140-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS OREAL (FR) 2011-08-03 — — EP claimed
US-20110041261-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS L'OREAL S.A (FR) 2011-02-24 — — US claimed
US-20130167307-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2013-07-04 — — US disclosed
US-8083809-B2 Azomethine direct dyes or reduced precursors of these dyes obtained from 2-chloro-3-amino-6-methylphenol, and hair dyeing method starting from these dyes and precursors L'OREAL S.A. (FR) 2011-12-27 — — US disclosed
EP-2229140-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS OREAL (FR) 2011-08-03 — — EP disclosed
US-20110041261-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS L'OREAL S.A (FR) 2011-02-24 — — US 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 (2 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-20130167307-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED IN THE 4 POSITION WITH A CARBOXYLIC ACID OR AMIDE, AND AT LEAST ONE DIRECT DYE OR A PIGMENT FOR DYEING KERATIN FIBRES KRT18, ADH1A, ADH1C CYP3A4 526/4885TDP1 3414/4885TSHR 3397/4885
US-20110041261-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-CHLORO-3-AMINO-6-METHYLPHENOL, AND HAIR DYEING METHOD STARTING FROM THESE DYES AND PRECURSORS KRT18, MKI67, DNMT1 CYP3A4 207/4885TDP1 2619/4885TSHR 3498/4885

“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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