SCHEMBL4875915

SCHEMBL4875915

CCCn1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc(-c2cccnc2)c1-c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H2 P55055 5/20 0.42
NR1H3 Q13133 5/20 0.42
MLYCD O95822 4/20 0.38
RORC P51449 2/20 0.38
TEK Q02763 1/20 0.37
PGR P06401 1/20 0.37
RORA P35398 1/20 0.37
RORB Q92753 1/20 0.37
S1PR1 P21453 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL4422948 0.86 MLYCD (0.43) MEN1KMT2ANR1H2NR1H3MLYCD
SCHEMBL4424260 0.81 PLAU (0.41) MEN1KMT2A
SCHEMBL4417912 0.69 EGLN1 (0.46) MEN1KMT2AMLYCDRORCPGR
SCHEMBL4879317 0.69 EGLN1 (0.43) KMT2ANR1H2NR1H3MLYCD
SCHEMBL4430547 0.69 MLYCD (0.41) MEN1KMT2ANR1H2NR1H3MLYCD
SCHEMBL7371125 0.67 S1PR1 (0.48) MEN1KMT2AS1PR1CYP11B1CYP11B2
SCHEMBL4882528 0.67 TLR8 (0.43) NR1H2NR1H3MLYCDRORCPGR
SCHEMBL27194609 0.67 MEN1 (0.51) MEN1KMT2ACYP11B1CYP11B2
SCHEMBL30885547 0.67 MEN1 (0.51) MEN1KMT2ACYP11B1CYP11B2
SCHEMBL8007698 0.66 ESR1 (0.50) KMT2ATEK

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-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US claimed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US claimed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 MEN1 1075/4885KMT2A 1299/4885NR1H2 1305/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MEN1 1149/4885KMT2A 1243/4885NR1H2 1233/4885

“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.