SCHEMBL1146398

SCHEMBL1146398

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.42
▸ GRIN2D O15399 2/20 0.35
▸ GRIN3B O60391 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ GRIN2C Q14957 2/20 0.35
▸ GRIN3A Q8TCU5 2/20 0.35
▸ MAPT P10636 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TNIK Q9UKE5 2/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ APAF1 O14727 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34

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 1.00 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1147008 0.83 KLKB1 (0.32) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10046646 0.80 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15315666 0.79 SIGMAR1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2456277 0.74 SIGMAR1 (0.33) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1146673 0.72 APAF1 (0.37) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL1146671 0.72 APAF1 (0.37) MAPTCYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL15062839 0.71 SIGMAR1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16426661 0.65 IDO1 (0.32) —
SCHEMBL15315667 0.64 ALDH1A1 (0.37) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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
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-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 SIGMAR1 4650/4885GRIN2D 1727/4885GRIN3B 3252/4885

“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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