SCHEMBL4428901

SCHEMBL4428901

CCCCNC(=O)c1c(-c2ccccc2)nc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 8/20 0.42
ATM Q13315 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BACE1 P56817 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL4420347 0.88 MLYCD (0.41) MLYCDATMNPC1RAB9AGAA
SCHEMBL4430547 0.86 MLYCD (0.41) MLYCDATMNPC1RAB9AGAA
SCHEMBL4424179 0.84 MLYCD (0.39) MLYCDATMNPC1RAB9AGAA
SCHEMBL4422260 0.82 MLYCD (0.38) MLYCDATMNPC1RAB9AGAA
SCHEMBL4430579 0.80 TRPV4 (0.47) GAAHPGDHDAC1HDAC8SMN1; SMN2
SCHEMBL4879317 0.80 EGLN1 (0.43) MLYCDHPGDNR1H2NR1H3SMN1; SMN2
SCHEMBL4424260 0.77 PLAU (0.41) ATMRAB9AHDAC3HDAC1HDAC2
SCHEMBL4430683 0.76 EGLN2 (0.40) MLYCDNR1H2NR1H3
SCHEMBL4417912 0.76 EGLN1 (0.46) MLYCDALDH1A1
SCHEMBL4871566 0.74 MLYCD (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 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 MLYCD 1/4885ATM 1566/4885NPC1 691/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885ATM 1573/4885NPC1 776/4885

“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.