SCHEMBL4854031

SCHEMBL4854031

O=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2OCc2ccccc2)S1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.60
TTR P02766 1/20 0.60
BLM P54132 1/20 0.60
PLA2G1B P04054 1/20 0.60
HTT P42858 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
PTPN1 P18031 8/20 0.58
HPGD P15428 3/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
PTGS2 P35354 1/20 0.55

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
SCHEMBL4854035 1.00 MEN1 (0.60) MEN1ALDH1A1KMT2APOLBKDM4E
SCHEMBL4845752 0.80 PTPN1 (0.56) MEN1ALDH1A1KMT2APTPN1
SCHEMBL4845761 0.80 PTPN1 (0.56) MEN1ALDH1A1KMT2APTPN1
SCHEMBL23036942 0.78 MTOR (0.59) ALDH1A1KDM4ETTRPTGS2
SCHEMBL13345210 0.78 PLK1 (0.65) MEN1KMT2APOLBHTTHPGD
SCHEMBL716851 0.76 PTGS2 (0.52) MEN1ALDH1A1KMT2APOLBKDM4E
SCHEMBL12155710 0.76 MEN1 (1.00) MEN1ALDH1A1KMT2APOLBKDM4E
SCHEMBL1247460 0.76 MEN1 (1.00) MEN1ALDH1A1KMT2APOLBKDM4E
SCHEMBL1247458 0.76 MEN1 (1.00) MEN1ALDH1A1KMT2APOLBKDM4E
SCHEMBL3393009 0.76 MTOR (0.56) TTRPTGS2

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 3268/4885ALDH1A1 821/4885KMT2A 1792/4885

“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.