SCHEMBL4850653

SCHEMBL4850653

COc1cc(COc2nn(-c3ccccc3)cc2C=CP(=O)(O)O)ccc1OCc1csc(N2CCCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APP P05067 2/20 0.38
DNM1L O00429 11/20 0.38
F2RL3 Q96RI0 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 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
SCHEMBL4850589 1.00 MEN1 (0.38) MEN1KMT2AAPPDNM1LF2RL3
SCHEMBL4847875 0.93 KDM4E (0.41) MEN1KMT2AAPPF2RL3KDM4E
SCHEMBL4847827 0.93 KDM4E (0.41) MEN1KMT2AAPPF2RL3KDM4E
SCHEMBL4845922 0.89 MEN1 (0.40) MEN1KMT2AAPPDNM1LF2RL3
SCHEMBL4846013 0.87 MEN1 (0.38) MEN1KMT2AAPPDNM1LF2RL3
SCHEMBL4846073 0.87 MEN1 (0.38) MEN1KMT2AAPPDNM1LF2RL3
SCHEMBL4848560 0.86 F2RL3 (0.37) MEN1KMT2AAPPDNM1LF2RL3
SCHEMBL4850595 0.86 F2RL3 (0.37) MEN1KMT2AAPPDNM1LF2RL3
SCHEMBL4848564 0.86 F2RL3 (0.37) MEN1KMT2AAPPDNM1LF2RL3
SCHEMBL4850224 0.82 ERBB2 (0.42) MEN1KMT2AAPPF2RL3KDM4E

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 MEN1 3268/4885KMT2A 1792/4885APP 3654/4885

“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.