SCHEMBL4845854

SCHEMBL4845854

COc1cc(C=O)ccc1OCc1nc(-c2cccc(C#N)c2)oc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 6/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
FDPS P14324 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDR P35968 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6157314 0.86 ALDH1A1 (0.54) ALDH1A1PPARGPPARASMN1; SMN2MAPT
SCHEMBL4850246 0.84 PPARG (0.43) ALDH1A1PPARGPPARASMN1; SMN2MAPT
SCHEMBL4850665 0.84 KDR (0.53) PPARGPPARASMN1; SMN2MAPTNPC1
SCHEMBL4852739 0.83 L3MBTL1 (0.50) ALDH1A1PPARGSMN1; SMN2MAPTHTT
SCHEMBL4855222 0.83 ALDH1A1 (0.52) ALDH1A1PPARGPPARASMN1; SMN2MAPT
SCHEMBL4029430 0.82 MAPT (0.50) ALDH1A1PPARGPPARASMN1; SMN2MAPT
SCHEMBL4851743 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTHTTNPC1
SCHEMBL4844000 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTHTTNPC1
SCHEMBL4850654 0.82 ALDH1A1 (0.47) ALDH1A1PPARGPPARASMN1; SMN2MAPT
SCHEMBL4848124 0.80 PPARG (0.41) ALDH1A1PPARGPPARASMN1; SMN2MAPT

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 ALDH1A1 821/4885PPARG 536/4885PPARA 519/4885

“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.