SCHEMBL497306

SCHEMBL497306

NC1=N/C(=N\c2ccc(N)cc2)C(Nc2ccc(N)cc2)=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.36
▸ RAD52 P43351 1/20 0.34
▸ MAPT P10636 8/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 5/20 0.33
▸ HTT P42858 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CASP3 P42574 3/20 0.31
▸ BLM P54132 3/20 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
SCHEMBL10024649 1.00 DNM1 (0.36) DNM1RAD52MAPTRAB9ANPSR1
SCHEMBL10024646 0.89 DNM1 (0.51) DNM1MAPTRAB9ANPSR1LMNA
SCHEMBL10024643 0.89 MAPT (0.43) DNM1MAPTRAB9ANPSR1LMNA
SCHEMBL496950 0.89 DNM1 (0.51) DNM1MAPTRAB9ANPSR1LMNA
SCHEMBL15068279 0.87 DNM1 (0.39) DNM1
SCHEMBL497179 0.87 MAPT (0.36) DNM1MAPTLMNAHTTSMN1; SMN2
SCHEMBL10024644 0.83 MAPT (0.37) RAD52MAPTRAB9ANPSR1LMNA
SCHEMBL496883 0.81 JAK2 (0.33) DNM1JAK2
SCHEMBL496885 0.81 JAK2 (0.33) DNM1JAK2
SCHEMBL497045 0.79 CYP1A2 (0.30) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579841-B1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS ORÉAL L (FR) 2016-09-14 — — EP disclosed
US-8771376-B2 Composition comprising at least one 2-pyrrolidone functionalized with an ester or amide radical, and at least one pigment or direct dye, for dyeing keratin materials L'OREAL (FR) 2014-07-08 — — US disclosed
EP-2231607-B1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-AMINO-3-HYDROXYPYRIDINE, AND HAIR DYEING PROCESS USING THESE DYES AND PRECURSORS OREAL (FR) 2013-07-03 — — EP disclosed
US-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2013-06-20 — — US disclosed
EP-2579841-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'Oréal (FR) 2013-04-17 — — EP disclosed
US-8105394-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) 2012-01-31 — — US disclosed
WO-2011154458-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2011-12-15 — — WO disclosed
US-20110041262-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 (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-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS KRT18, ADH1A, ADH5 DNM1 1690/4885RAD52 615/4885MAPT 254/4885
US-20110041262-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, QDPR DNM1 2971/4885RAD52 134/4885MAPT 1558/4885

“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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