SCHEMBL4848818

SCHEMBL4848818

COc1cc(COc2nn(-c3ccccc3)cc2C=CP(=O)(O)O)ccc1OCc1nc(N2CCOCC2)sc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
F2RL3 Q96RI0 3/20 0.40
F2 P00734 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
APP P05067 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 3/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GAA P10253 2/20 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
SCHEMBL4848785 1.00 KDM4E (0.41) KDM4ELMNAF2RL3F2SMN1; SMN2
SCHEMBL4846013 0.93 MEN1 (0.38) KDM4ELMNAF2RL3F2APP
SCHEMBL4846073 0.93 MEN1 (0.38) KDM4ELMNAF2RL3F2APP
SCHEMBL4850499 0.90 F2RL3 (0.42) KDM4ELMNAF2RL3F2SMN1; SMN2
SCHEMBL4847827 0.87 KDM4E (0.41) KDM4ELMNAF2RL3F2SMN1; SMN2
SCHEMBL4847875 0.87 KDM4E (0.41) KDM4ELMNAF2RL3F2SMN1; SMN2
SCHEMBL4853130 0.86 F2RL3 (0.40) KDM4ELMNAF2RL3F2MEN1
SCHEMBL4853167 0.86 F2RL3 (0.40) KDM4ELMNAF2RL3F2MEN1
SCHEMBL4850475 0.85 F2RL3 (0.38) KDM4ELMNAF2RL3F2SMN1; SMN2
SCHEMBL4846373 0.85 F2RL3 (0.38) KDM4ELMNAF2RL3F2SMN1; SMN2

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 3265/4885F2RL3 4515/4885

“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.