SCHEMBL1146816

SCHEMBL1146816

CCC1=C(O)C(=Nc2ccc(N)cc2)C=C(Nc2ccc(N)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ HSP90AA1 P07900 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 2/20 0.35
▸ BLM P54132 4/20 0.34
▸ HKDC1 Q2TB90 2/20 0.34
▸ GALK1 P51570 1/20 0.34
▸ XIAP P98170 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ MITF O75030 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ EPHB2 P29323 1/20 0.32
▸ CCR6 P51684 1/20 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
SCHEMBL1146813 1.00 APAF1 (0.38) APAF1RAB9AMEN1KMT2ANPC1
SCHEMBL16426665 0.91 RAB9A (0.34) APAF1RAB9AMEN1KMT2ANPC1
SCHEMBL1146673 0.84 APAF1 (0.37) APAF1RAB9AMEN1KMT2ANPC1
SCHEMBL1146671 0.84 APAF1 (0.37) APAF1RAB9AMEN1KMT2ANPC1
SCHEMBL16426662 0.81 RAB9A (0.42) APAF1RAB9AMEN1KMT2ANPC1
SCHEMBL16426689 0.81 IDO1 (0.43) APAF1RAB9AMEN1KMT2ANPC1
SCHEMBL15019880 0.78 GAA (0.39) RAB9AGAAXIAP
SCHEMBL16426685 0.74 DNM1 (0.46) APAF1RAB9AMEN1KMT2APOLB
SCHEMBL10046654 0.74 DNM1 (0.46) APAF1RAB9AMEN1KMT2APOLB
SCHEMBL15020327 0.74 L3MBTL1 (0.34) APAF1RAB9AMEN1KMT2ANPC1

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
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 claimed
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 claimed
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 claimed
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

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 APAF1 3997/4885RAB9A 4216/4885MEN1 1908/4885

“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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