SCHEMBL4879317

SCHEMBL4879317

CCCCNC(=O)c1c(-c2ccccc2)nc(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n1Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.43
PTAFR P25105 2/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
KLK7 P49862 1/20 0.41
NAMPT P43490 2/20 0.41
TLR7 Q9NYK1 1/20 0.40
MLYCD O95822 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BTK Q06187 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGFR P43088 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL4424260 0.87 PLAU (0.41) EGLN1NAMPTSMN1; SMN2KMT2A
SCHEMBL4430547 0.86 MLYCD (0.41) HPGDMLYCDNR1H2NR1H3KMT2A
SCHEMBL4424179 0.83 MLYCD (0.39) HPGDMLYCD
SCHEMBL4420347 0.83 MLYCD (0.41) ALDH1A1HPGDMLYCDNR1H2NR1H3
SCHEMBL4422260 0.81 MLYCD (0.38) ALDH1A1KDM4EHPGDMLYCDKMT2A
SCHEMBL4428901 0.80 MLYCD (0.42) ALDH1A1KDM4EHPGDMLYCDNR1H2
SCHEMBL4430579 0.79 TRPV4 (0.47) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL4417912 0.76 EGLN1 (0.46) EGLN1ALDH1A1MLYCDMAPTKMT2A
SCHEMBL4430683 0.76 EGLN2 (0.40) MLYCDNR1H2NR1H3
SCHEMBL4875915 0.69 MEN1 (0.44) MLYCDNR1H2NR1H3KMT2A

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 2 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-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 EGLN1 1704/4885PTAFR 1182/4885ALDH1A1 117/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA EGLN1 1863/4885PTAFR 1117/4885ALDH1A1 149/4885

“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.