SCHEMBL1147008

SCHEMBL1147008

CC1=C(O)C(=Nc2ccc(CN)cc2)C=C(Nc2ccc(N)cc2C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL1146396 0.83 SIGMAR1 (0.42) TNIKMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1146398 0.83 SIGMAR1 (0.42) TNIKMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1146264 0.82 APAF1 (0.38) KLKB1MAPTCYP2C9APAF1NPC1
SCHEMBL1146267 0.82 APAF1 (0.38) KLKB1MAPTCYP2C9APAF1NPC1
SCHEMBL1146673 0.77 APAF1 (0.37) MAPTCYP1A2CYP2C9CYP2C19APAF1
SCHEMBL1146671 0.77 APAF1 (0.37) MAPTCYP1A2CYP2C9CYP2C19APAF1
SCHEMBL1147011 0.72 PABPC1 (0.33) —
SCHEMBL12140930 0.69 APAF1 (0.46) MAPTAPAF1NPC1LMNATP53
SCHEMBL1146323 0.69 APAF1 (0.46) MAPTAPAF1NPC1LMNATP53
SCHEMBL1146325 0.69 APAF1 (0.46) MAPTAPAF1NPC1LMNATP53

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 KLKB1 607/4885TNIK 2748/4885MAPT 987/4885

“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.

Send feedback