SCHEMBL4883425

SCHEMBL4883425

OC(c1ccc(-c2nc(-c3cccnc3)c[nH]2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.44
DGAT1 O75907 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPY5R Q15761 1/20 0.41
RORC P51449 1/20 0.41
MAPK1 P28482 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
S1PR1 P21453 1/20 0.39
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
KIF11 P52732 1/20 0.38
SYK P43405 1/20 0.38
PDK2 Q15119 1/20 0.38
TDO2 P48775 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 2/20 0.37
AAK1 Q2M2I8 1/20 0.36
DHODH Q02127 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
SCHEMBL27584244 0.80 CYP19A1 (0.54) MAPK1TDO2PDGFRBKITDHODH
SCHEMBL17280234 0.75 CYP19A1 (0.49) MAPK1TDO2PDGFRB
SCHEMBL15330813 0.75 TTK (0.45) MAPK1PDGFRB
SCHEMBL10558550 0.74 CYP19A1 (0.50) MAPK1NPC1
SCHEMBL6268973 0.73 NPY5R (0.50) NPY5RMAPK1NPC1
SCHEMBL4657939 0.73 S1PR1 (0.46) DGAT1KCNH2NPY5RS1PR1NPC1
SCHEMBL4884879 0.73 NR1H2 (0.46) MLYCDNR1H2NR1H3
SCHEMBL4658149 0.72 NPY5R (0.45) DGAT1KCNH2NPY5RS1PR1NPC1
SCHEMBL2837699 0.72 CYP11B1 (0.51) NPY5RMAPK1NPC1
SCHEMBL4880561 0.72 NR1H2 (0.42) MLYCDNR1H2NR1H3

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 1/4885DGAT1 202/4885KCNH2 4082/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885DGAT1 218/4885KCNH2 4004/4885

“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.