SCHEMBL4851085

SCHEMBL4851085

COc1cc(COc2nn(-c3ccccc3)cc2/C=C/P(=O)(O)O)ccc1OCc1cn(-c2ccccn2)nc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 5/20 0.35
HTT P42858 4/20 0.35
LMNA P02545 4/20 0.35
MAPK1 P28482 3/20 0.35
TSHR P16473 2/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
RAF1 P04049 2/20 0.34
MAP2K1 Q02750 2/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4851143 1.00 KDM4E (0.35) KDM4EALDH1A1HTTLMNAMAPK1
SCHEMBL4855344 0.89 KDM4E (0.39) KDM4EALDH1A1HTTLMNAMAPK1
SCHEMBL4850791 0.80 PPARD (0.42) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL4850827 0.80 PPARD (0.42) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL4845730 0.79 PPARG (0.43) MAPTPOLB
SCHEMBL4845738 0.79 PPARG (0.43) MAPTPOLB
SCHEMBL4853167 0.79 F2RL3 (0.40) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL4853130 0.79 F2RL3 (0.40) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL4846872 0.78 PDE10A (0.39) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL4846914 0.78 PDE10A (0.39) KDM4EALDH1A1LMNAMAPK1MAPT

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 KDM4E 719/4885ALDH1A1 821/4885HTT 4094/4885

“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.