SCHEMBL4847875

SCHEMBL4847875

COc1cc(COc2nn(-c3ccccc3)cc2C=CP(=O)(O)O)ccc1OCc1csc(N2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
APP P05067 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
F2RL3 Q96RI0 8/20 0.39
ERBB2 P04626 1/20 0.39
EPHA2 P29317 1/20 0.39
F2 P00734 2/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4847827 1.00 KDM4E (0.41) KDM4ELMNASMN1; SMN2MEN1APP
SCHEMBL4850653 0.93 MEN1 (0.38) KDM4ELMNAMEN1APPKMT2A
SCHEMBL4850589 0.93 MEN1 (0.38) KDM4ELMNAMEN1APPKMT2A
SCHEMBL4850224 0.90 ERBB2 (0.42) KDM4ELMNASMN1; SMN2MEN1APP
SCHEMBL4848785 0.87 KDM4E (0.41) KDM4ELMNASMN1; SMN2MEN1APP
SCHEMBL4848818 0.87 KDM4E (0.41) KDM4ELMNASMN1; SMN2MEN1APP
SCHEMBL4845922 0.82 MEN1 (0.40) KDM4EMEN1APPKMT2AF2RL3
SCHEMBL4846013 0.81 MEN1 (0.38) KDM4ELMNAMEN1APPHPGD
SCHEMBL4846073 0.81 MEN1 (0.38) KDM4ELMNAMEN1APPHPGD
SCHEMBL4845738 0.80 PPARG (0.43) MAPTTP53

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 719/4885LMNA 3265/4885SMN1; 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.