SCHEMBL4564880

SCHEMBL4564880

Nc1ccc(NC(=O)[C@@H]2CCCN2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.62
SCN9A Q15858 3/20 0.62
ULK1 O75385 1/20 0.56
PSMB8 P28062 2/20 0.54
SCN5A Q14524 1/20 0.52
RAB9A P51151 2/20 0.48
EPHX1 P07099 1/20 0.48
GAA P10253 1/20 0.48
TERT O14746 1/20 0.47
DHODH Q02127 1/20 0.46
MAPT P10636 1/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL7788050 1.00 SCN3A (0.62) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL15652522 0.95 ULK1 (0.62) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL15652723 0.92 SCN3A (0.52) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL13388756 0.87 SCN3A (0.64) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL7692273 0.86 SCN3A (0.56) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL29365790 0.86 SCN3A (0.56) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL24609551 0.84 SCN3A (0.55) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL13379539 0.84 SCN3A (0.58) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL873241 0.84 SCN3A (0.55) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL1751199 0.84 SCN3A (0.55) SCN3ASCN9AULK1PSMB8SCN5A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7070629-B2 Dye composition comprising at least one diaminopyrazole oxidation base, at least one paraphenylenediamine oxidation base comprising a cyclic amino group, and at least one coupler L'OREAL, S.A. (FR) 2006-07-04 US claimed
US-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent L'OREAL S.A. (FR) 2004-11-25 US claimed
EP-1432389-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2004-06-30 EP claimed
WO-2003028689-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2003-04-10 WO claimed
EP-0937713-B1 N-(4-Aminophenyl) prolineamide in oxidative hair dye system BRISTOL MYERS SQUIBB CO (US) 2001-10-17 EP claimed
JP-11269143-A None JP disclosed
WO-2018019252-A1 NOVEL FUSED PYRIDINE DERIVATIVES USEFUL AS FAK/AURORA KINASE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2018-02-01 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2099453-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
EP-1937271-A1 MICROANGIOPATHY TREATMENT AND PREVENTION Bayer HealthCare AG (DE) 2008-07-02 EP disclosed
EP-1933841-A1 COMBINATION THERAPY COMPRISING SUBSTITUTED OXAZOLIDINONES FOR THE PREVENTION AND TREATMENT OF CEREBRAL CIRCULATORY DISORDERS Bayer HealthCare AG (DE) 2008-06-25 EP disclosed
WO-2008052671-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 WO disclosed
EP-1149576-A1 Oxidative dyeing composition for keratinic fibres comprising 1-(4-aminophenyl)pyrrolidine and a sugar-based polymer L'OREAL (FR) 2001-10-31 EP disclosed
EP-1149575-A1 Oxidative dyeing composition for keratin fibres comprising 1-(4-aminophenyl)-pyrrolidine and a particular direct dye L'OREAL (FR) 2001-10-31 EP disclosed
EP-1149577-A1 Oxidative dyeing composition for keratinic fibres comprising 1-aminophenyl-pyrroilidine and a cationic polymer L'OREAL (FR) 2001-10-31 EP disclosed
EP-1147763-A1 Oxidative dyeing composition for keratinic fibres containing 1-(4-aminophenyl)-pyrrolidine and an enzymatic oxidation system L'OREAL (FR) 2001-10-24 EP disclosed
EP-0937713-B1 N-(4-Aminophenyl) prolineamide in oxidative hair dye system BRISTOL MYERS SQUIBB CO (US) 2001-10-17 EP disclosed
JP-H11269143-A N-(4-AMINOPHENYL)PROLINEAMIDE, ITS USE AND COMPOSITION CONTAINING THE SAME BRISTOL MYERS SQUIBB CO 1999-10-05 JP disclosed
EP-0937713-A1 N-(4-Aminophenyl) prolineamide in oxidative hair dye system Bristol-Myers Squibb Company (US) 1999-08-25 EP disclosed
US-5876464-A AQUEOUS SOLUTION BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 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-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent KRT18, AOC1, DPYD SCN3A 1334/4885SCN9A 1723/4885ULK1 4270/4885

“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.