SCHEMBL5209327

SCHEMBL5209327

Cc1oc(-c2cccc(-c3ccsc3)c2)nc1CCO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
PPARA Q07869 10/20 0.45
PPARG P37231 8/20 0.45
KDM4E B2RXH2 1/20 0.41
KDR P35968 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3532628 0.87 KDM1A (0.57) KDM1APPARAPPARGKDM4EKDR
SCHEMBL5204314 0.84 KDM4E (0.54) KDM1APPARAPPARGKDM4EKDR
SCHEMBL1436917 0.80 PPARA (0.54) KDM1APPARAPPARGKDM4E
SCHEMBL5210139 0.80 KDM1A (0.48) KDM1APPARAPPARGKDM4EKDR
SCHEMBL5208293 0.79 PPARA (0.44) PPARAPPARG
SCHEMBL4888438 0.78 PPARG (0.57) KDM1APPARAPPARGKDM4EKDR
SCHEMBL6509332 0.78 PPARG (0.52) KDM1APPARAPPARGKDM4EKDR
SCHEMBL12617314 0.78 MAPT (0.53) KDM1APPARAPPARGKDM4ENPC1
SCHEMBL979145 0.77 KDM4E (0.65) PPARAPPARGKDM4EKDRHRH3
SCHEMBL5205865 0.77 KDR (0.40) PPARAPPARGKDRPRMT6

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-1313717-B1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-10-17 EP disclosed
US-7176224-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2007-02-13 US disclosed
US-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 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-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARD, PPARG KDM1A 2327/4885PPARA 1/4885PPARG 3/4885

“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.