SCHEMBL4850381

SCHEMBL4850381

Cc1oc(-c2cccc(CC(=O)O)c2)nc1CCl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KDR P35968 1/20 0.46
PPARA Q07869 8/20 0.46
PPARG P37231 7/20 0.46
FFAR1 O14842 1/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
VDR P11473 1/20 0.43
PPARD Q03181 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL4845597 0.84 KDM4E (0.63) KDM4EHPGDPPARAPPARGFFAR1
SCHEMBL4425438 0.83 NOTUM (0.48) KDM4EALDH1A1HPGDKDRTSHR
SCHEMBL4846412 0.81 FFAR1 (0.48) KDM4EALDH1A1KDRPPARAPPARG
SCHEMBL1436140 0.78 MAPT (0.49) ALDH1A1HPGDPPARATSHRMEN1
SCHEMBL14514345 0.78 KDR (0.78) KDM4EKDRPPARAPPARGFFAR1
SCHEMBL503999 0.78 KDM4E (0.64) KDM4EALDH1A1HPGDKDRPPARA
SCHEMBL1436230 0.77 MAPT (0.56) KDM4EHPGDTSHRMAPTMAPK1
SCHEMBL5099375 0.77 KDM4E (0.72) KDM4EALDH1A1HPGDPPARAPPARG
SCHEMBL4391054 0.77 PPARG (0.75) PPARAPPARG
SCHEMBL4389715 0.77 PPARG (0.66) PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDM4E 719/4885ALDH1A1 821/4885HPGD 1095/4885

“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.