SCHEMBL4851206

SCHEMBL4851206

COc1cc(COc2nn(-c3ccccc3)cc2C=O)ccc1OCc1sc(-c2ccccc2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.44
FFAR1 O14842 9/20 0.43
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NLRP3 Q96P20 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL4848592 0.89 F2RL3 (0.42) MEN1KMT2ANLRP3MAPTKDM4E
SCHEMBL4850791 0.89 PPARD (0.42) PPARDFFAR1TP53MEN1KMT2A
SCHEMBL4850827 0.89 PPARD (0.42) PPARDFFAR1TP53MEN1KMT2A
SCHEMBL4845536 0.81 PPARG (0.46) FFAR1MAPT
SCHEMBL4852679 0.81 PDE10A (0.42) MEN1KMT2ANLRP3MAPTALDH1A1
SCHEMBL4845749 0.78 ALDH1A1 (0.40) TP53MEN1KMT2AMAPTKDM4E
SCHEMBL4855344 0.78 KDM4E (0.39) TP53MEN1KMT2ANLRP3MAPT
SCHEMBL4853790 0.78 PPARG (0.43) FFAR1MAPT
SCHEMBL4853167 0.78 F2RL3 (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4853130 0.78 F2RL3 (0.40) MEN1KMT2AMAPTKDM4EALDH1A1

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 PPARD 745/4885FFAR1 771/4885TP53 4408/4885

“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.