SCHEMBL4846895

SCHEMBL4846895

Cc1oc(-c2ccco2)nc1COc1ccc(COc2nn(-c3ccccc3)cc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 8/20 0.41
PPARA Q07869 7/20 0.41
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
KDR P35968 1/20 0.37
USP2 O75604 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
SCHEMBL4852511 0.88 PPARG (0.49) ALDH1A1MEN1KMT2AALOX12NPSR1
SCHEMBL4850671 0.86 KDM4E (0.46) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL4844075 0.85 PPARG (0.45) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL4848923 0.83 PPARG (0.45) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL4848921 0.83 PPARG (0.45) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL4034756 0.82 KDM4E (0.43) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL4843713 0.81 PPARG (0.42) PPARGPPARAFFAR1MAPTKDR
SCHEMBL4843699 0.81 PPARG (0.42) PPARGPPARAFFAR1MAPTKDR
SCHEMBL4848114 0.77 PPARG (0.48) ALDH1A1MEN1KMT2AALOX12NPSR1
SCHEMBL4846838 0.76 PPARG (0.43) ALDH1A1PPARGPPARAFFAR1KDM4E

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 821/4885MEN1 3268/4885KMT2A 1792/4885

“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.