SCHEMBL4430579

SCHEMBL4430579

CCCCNC(=O)c1c(-c2ccccc2)nc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n1CCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.47
HPGDS O60760 2/20 0.46
CD274 Q9NZQ7 2/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 2/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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 0.89 MLYCD (0.41) HPGDGAAHDAC1HDAC8
SCHEMBL4424179 0.87 MLYCD (0.39) TRPV4HPGDGAAHDAC1HDAC8
SCHEMBL4422260 0.85 MLYCD (0.38) HPGDKDM4EALDH1A1GAACASP1
SCHEMBL4420347 0.83 MLYCD (0.41) HPGDALDH1A1GAASMN1; SMN2LMNA
SCHEMBL4424260 0.80 PLAU (0.41) TSHRSMN1; SMN2TP53HDAC1
SCHEMBL4428901 0.80 MLYCD (0.42) HPGDKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL4417912 0.80 EGLN1 (0.46) ALDH1A1MAPTLMNA
SCHEMBL4430683 0.79 EGLN2 (0.40) CD274
SCHEMBL4879317 0.79 EGLN1 (0.43) HPGDKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4871566 0.75 MLYCD (0.42) TRPV4

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 TRPV4 3599/4885HPGDS 810/4885CD274 1620/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA TRPV4 3623/4885HPGDS 778/4885CD274 2001/4885

“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.