SCHEMBL4420347

SCHEMBL4420347

CCCCNC(=O)c1c(-c2ccccc2)nc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 6/20 0.41
BACE1 P56817 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NCOR2 Q9Y618 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
SCHEMBL4430547 0.90 MLYCD (0.41) MLYCDBACE1NPC1RAB9AATM
SCHEMBL4424179 0.88 MLYCD (0.39) MLYCDBACE1NPC1RAB9AATM
SCHEMBL4428901 0.88 MLYCD (0.42) MLYCDBACE1NPC1RAB9AATM
SCHEMBL4422260 0.85 MLYCD (0.38) MLYCDBACE1NPC1RAB9AATM
SCHEMBL4879317 0.83 EGLN1 (0.43) MLYCDKMT2ASMN1; SMN2HPGDNR1H2
SCHEMBL4430579 0.83 TRPV4 (0.47) GAASMN1; SMN2HPGDHDAC1HDAC8
SCHEMBL4424260 0.81 PLAU (0.41) RAB9AATMMEN1KMT2ASMN1; SMN2
SCHEMBL4417912 0.80 EGLN1 (0.46) MLYCDMEN1KMT2ALMNACKS1B
SCHEMBL4430683 0.80 EGLN2 (0.40) MLYCDTRPV1NR1H2NR1H3
SCHEMBL4871566 0.79 MLYCD (0.42) MLYCDMEN1KMT2ACKS1BSKP1

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 1/4885BACE1 2229/4885NPC1 691/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885BACE1 2384/4885NPC1 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.