SCHEMBL4850246

SCHEMBL4850246

COc1cc(CCl)ccc1OCc1nc(-c2cccc(C#N)c2)oc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARA Q07869 2/20 0.43
KDR P35968 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
DYRK1A Q13627 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4850665 0.91 KDR (0.53) PPARGPPARAKDRSMN1; SMN2FFAR1
SCHEMBL4848124 0.87 PPARG (0.41) PPARGPPARAKDRSMN1; SMN2FFAR1
SCHEMBL1731684 0.86 KDR (0.53) PPARGPPARAKDRSMN1; SMN2FFAR1
SCHEMBL4845854 0.84 ALDH1A1 (0.47) PPARGPPARAKDRSMN1; SMN2FFAR1
SCHEMBL4034512 0.82 KDR (0.53) PPARGPPARAKDRSMN1; SMN2FFAR1
SCHEMBL4850992 0.81 L3MBTL1 (0.50) PPARGKDRSMN1; SMN2LMNATSHR
SCHEMBL4852529 0.81 SMN1; SMN2 (0.47) PPARGPPARASMN1; SMN2FFAR1LMNA
SCHEMBL4846412 0.81 FFAR1 (0.48) PPARGPPARAKDRSMN1; SMN2FFAR1
SCHEMBL1732533 0.81 KDM4E (0.49) PPARGPPARAKDRSMN1; SMN2FFAR1
SCHEMBL4845475 0.81 SMN1; SMN2 (0.51) PPARGKDRSMN1; SMN2TP53TSHR

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 PPARG 536/4885PPARA 519/4885KDR 2335/4885

“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.