SCHEMBL4846962

SCHEMBL4846962

Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(Cc3ccccc3)cc2C=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PPARG P37231 15/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
PPARA Q07869 14/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA2A P29274 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL4851874 0.90 FFAR1 (0.41) NPC1RAB9ASMN1; SMN2PPARGLMNA
SCHEMBL4848659 0.88 PPARG (0.39) PPARGPPARA
SCHEMBL4845585 0.88 PPARG (0.38) RAB9ASMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL4850429 0.88 PPARG (0.45) NPC1RAB9ASMN1; SMN2PPARGLMNA
SCHEMBL5374488 0.87 FFAR1 (0.39) NPC1RAB9ASMN1; SMN2PPARGMAPT
SCHEMBL4852692 0.87 PPARG (0.41) NPC1RAB9ASMN1; SMN2PPARGLMNA
SCHEMBL4850712 0.87 KDR (0.38) PPARGPPARAADORA2ADRD2HTR2A
SCHEMBL4848574 0.87 KDR (0.45) NPC1RAB9ASMN1; SMN2PPARGLMNA
SCHEMBL4848139 0.86 PPARG (0.41) NPC1RAB9ASMN1; SMN2PPARGLMNA
SCHEMBL4846867 0.86 PPARG (0.47) NPC1RAB9ASMN1; SMN2PPARGLMNA

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 NPC1 822/4885RAB9A 1036/4885SMN1; SMN2 4339/4885

“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.