SCHEMBL5850374

SCHEMBL5850374

Nc1ccc(NC(=O)N2CCC[C@H]2C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
THRB P10828 1/20 0.75
ALOX12 P18054 1/20 0.75
ITGB3 P05106 1/20 0.56
ITGB1 P05556 1/20 0.56
ITGAV P06756 1/20 0.56
ITGA5 P08648 1/20 0.56
ITGA4 P13612 1/20 0.56
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.51
FKBP1A P62942 2/20 0.49
CCR1 P32246 2/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL4186674 0.87 KMT2A (0.76) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL20446598 0.86 THRB (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL4190364 0.86 THRB (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL5734080 0.86 THRB (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL31188328 0.85 THRB (0.70) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL31188289 0.85 THRB (0.70) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL16098798 0.84 THRB (0.73) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL7309663 0.82 THRB (0.70) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL31188337 0.82 THRB (0.74) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL2442864 0.80 HTT (0.54) KMT2ATHRBALOX12CYP2C9CYP2C19

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 23 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
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 disclosed
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 disclosed
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 disclosed
US-20030084516-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods L'OREAL S.A. (FR) 2003-05-08 US disclosed
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 disclosed
US-20030024058-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one 1-(4-aminophenyl)pyrrolidine and at least one thickening polymer comprising at least one sugar unit, and dyeing methods L'OREAL S.A. (FR) 2003-02-06 US disclosed
US-20020026675-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one 1-(4-aminophenyl)pyrrolidine and at least one thickening polymer comprising at least one sugar unit, and dyeing methods KRAVTCHENKO SYLVAIN (FR) 2002-03-07 US disclosed
US-20020020029-A1 Composition for the oxidation dyeing of keratinous fibers comprising at least one 1-(4-aminophenyl)pyrrolidine oxidation dye and at least one enzymatic oxidizing system, and dyeing methods L'OREAL S.A. (FR) 2002-02-21 US 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-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-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
JP-H11269143-A N-(4-AMINOPHENYL)PROLINEAMIDE, ITS USE AND COMPOSITION CONTAINING THE SAME BRISTOL MYERS SQUIBB CO 1999-10-05 JP 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 (5 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 KMT2A 2305/4885THRB 4688/4885ALOX12 3684/4885
US-20020020029-A1 Composition for the oxidation dyeing of keratinous fibers comprising at least one 1-(4-aminophenyl)pyrrolidine oxidation dye and at least one enzymatic oxidizing system, and dyeing methods ALDH7A1, KRT18, PPOX KMT2A 1971/4885THRB 4081/4885ALOX12 1186/4885
US-20030024058-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one 1-(4-aminophenyl)pyrrolidine and at least one thickening polymer comprising at least one sugar unit, and dyeing methods KRT18, HKDC1, PLOD1 KMT2A 1513/4885THRB 3918/4885ALOX12 3455/4885
US-20030084516-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRT18, PLOD1, PLOD2 KMT2A 2071/4885THRB 4214/4885ALOX12 1161/4885
US-20020026675-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one 1-(4-aminophenyl)pyrrolidine and at least one thickening polymer comprising at least one sugar unit, and dyeing methods KRT18, HKDC1, PLOD1 KMT2A 1513/4885THRB 3918/4885ALOX12 3455/4885

“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.