SCHEMBL4850583

SCHEMBL4850583

COc1cc(CO)ccc1OCc1nc(-c2cccc(-c3nnn[nH]3)c2)oc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.41
PPARG P37231 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 1/20 0.38
PDE10A Q9Y233 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4846926 0.88 PPARG (0.40) KDRSMN1; SMN2PPARGGAANPC1
SCHEMBL4038141 0.83 KDR (0.67) KDRSMN1; SMN2PPARGNPC1POLB
SCHEMBL4850665 0.80 KDR (0.53) KDRSMN1; SMN2PPARGNPC1POLB
SCHEMBL4845464 0.79 KDR (0.57) KDRSMN1; SMN2PPARGFFAR1PDE10A
SCHEMBL4845929 0.79 KDR (0.52) KDRSMN1; SMN2PPARGPOLBFFAR1
SCHEMBL4852906 0.79 PPARG (0.38) KDRSMN1; SMN2PPARGFFAR1LMNA
SCHEMBL4034982 0.79 KDR (0.67) KDRSMN1; SMN2PPARGPOLBFFAR1
SCHEMBL4850608 0.79 KDR (0.53) KDRSMN1; SMN2PPARGNPC1POLB
SCHEMBL4850575 0.79 KDR (0.52) KDRSMN1; SMN2PPARGNPC1RAB9A
SCHEMBL4853058 0.78 KDR (0.53) KDRSMN1; SMN2PPARGGAANPC1

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 KDR 2335/4885SMN1; SMN2 4339/4885PPARG 536/4885

“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.