SCHEMBL4883327

SCHEMBL4883327

N#Cc1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)noc1N

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 16/20 0.61
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4422015 0.76 MLYCD (1.00) MLYCD
SCHEMBL4420017 0.76 MLYCD (1.00) MLYCD
SCHEMBL18956147 0.75 HPGD (0.52) TP53HPGDHTTLMNAKDM4E
SCHEMBL4424848 0.75 MLYCD (1.00) MLYCD
SCHEMBL2201442 0.75 TP53 (0.62) TP53HPGDHTTLMNAKDM4E
SCHEMBL4421376 0.72 MLYCD (1.00) MLYCD
SCHEMBL4874434 0.70 MLYCD (1.00) MLYCD
SCHEMBL4420660 0.70 MLYCD (1.00) MLYCD
SCHEMBL3113306 0.69 HTT (0.47) TP53HPGDHTTLMNAKDM4E
SCHEMBL4880632 0.68 AR (0.45) MLYCD

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 MLYCD 1/4885TP53 2310/4885HPGD 287/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885TP53 2263/4885HPGD 264/4885

“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.