SCHEMBL4424260

SCHEMBL4424260

CCCCNC(=O)c1c(-c2cccnc2)nc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n1CCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.41
EGLN1 Q9GZT9 1/20 0.39
NAMPT P43490 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
SCD O00767 2/20 0.39
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IDH1 O75874 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4430547 0.90 MLYCD (0.41) HTR2AHTR2CSLC6A4RAB9AHDAC3
SCHEMBL4879317 0.87 EGLN1 (0.43) EGLN1NAMPTKMT2ASMN1; SMN2
SCHEMBL4424179 0.84 MLYCD (0.39) RAB9AHDAC3HDAC1HDAC2ATM
SCHEMBL4422260 0.82 MLYCD (0.38) RAB9AHDAC3HDAC1HDAC2ATM
SCHEMBL4420347 0.81 MLYCD (0.41) RAB9AHDAC3HDAC1HDAC2ATM
SCHEMBL4875915 0.81 MEN1 (0.44) MEN1KMT2A
SCHEMBL4417912 0.81 EGLN1 (0.46) EGLN1MEN1KMT2A
SCHEMBL4430579 0.80 TRPV4 (0.47) HDAC1TP53TSHRSMN1; SMN2
SCHEMBL4428901 0.77 MLYCD (0.42) RAB9AHDAC3HDAC1HDAC2ATM
SCHEMBL4422948 0.69 MLYCD (0.43) MEN1KMT2ATSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4267920-B2 2009-05-27 JP claimed
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
JP-2004523542-A 2004-08-05 JP claimed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 US claimed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 EP claimed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 WO 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 PLAU 2216/4885EGLN1 1704/4885NAMPT 358/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA PLAU 2086/4885EGLN1 1863/4885NAMPT 316/4885

“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.