SCHEMBL2501414

SCHEMBL2501414

O=C(O)[C@H](Cc1ccccc1)Nc1ncccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
PPARA Q07869 1/20 0.54
NPR3 P17342 1/20 0.53
MME P08473 3/20 0.50
NPSR1 Q6W5P4 1/20 0.49
NAALAD2 Q9Y3Q0 2/20 0.48
CYP1A2 P05177 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MMP2 P08253 4/20 0.47
MMP9 P14780 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS4 O75173 1/20 0.47
FOLH1 Q04609 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
SCHEMBL27719027 1.00 PPARG (0.54) PPARGPPARANPR3MMENPSR1
SCHEMBL29377546 0.89 PPARG (0.51) PPARGPPARANPR3MMENAALAD2
SCHEMBL15583227 0.86 NPR3 (0.59) NPR3MMENPSR1NAALAD2CYP1A2
SCHEMBL5939842 0.84 L3MBTL1 (0.59) MMENPSR1NAALAD2L3MBTL1
SCHEMBL5939834 0.84 L3MBTL1 (0.59) MMENPSR1NAALAD2L3MBTL1
SCHEMBL4195980 0.79 L3MBTL1 (0.53) NPR3L3MBTL1
SCHEMBL4195984 0.79 L3MBTL1 (0.53) NPR3L3MBTL1
SCHEMBL1533647 0.79 PPARG (0.58) PPARGMMENPSR1NAALAD2CYP1A2
SCHEMBL6250861 0.79 PPARG (0.58) PPARGMMENPSR1NAALAD2CYP1A2
SCHEMBL1533645 0.79 PPARG (0.58) PPARGMMENPSR1NAALAD2CYP1A2

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
EP-1881982-B1 IMIDAZOLONE PHENYLALANINE DERIVATIVES AS VLA-4 ANTAGONISTS ELAN PHARM INC (US) 2013-11-20 EP disclosed
US-8030328-B2 Imidazolone phenylalanine derivatives ELAN PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
EP-1881982-A1 IMIDAZOLONE PHENYLALANINE DERIVATIVES AS VLA-4 ANTAGONISTS Elan Pharmaceuticals Inc. (US) 2008-01-30 EP disclosed
US-20070037804-A1 Imidazolone phenylalanine derivatives TBD 2007-02-15 US disclosed
WO-2006127584-A1 IMIDAZOLONE PHENYLALANINE DERIVATIVES AS VLA-4 ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2006-11-30 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-20070037804-A1 Imidazolone phenylalanine derivatives VCAM1, ICAM1, IL4I1 PPARG 3837/4885PPARA 2482/4885NPR3 582/4885

“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.