SCHEMBL1897899

SCHEMBL1897899

O=C(NCc1ccncc1)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 2/20 0.47
SORT1 Q99523 1/20 0.44
GSK3B P49841 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP13 P45452 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL647702 0.78 MLYCD (0.50) MLYCD
SCHEMBL650015 0.71 MLYCD (0.54) MLYCD
SCHEMBL1900136 0.71 MLYCD (0.72) MLYCD
SCHEMBL647994 0.69 MLYCD (1.00) MLYCD
SCHEMBL3589385 0.69 MLYCD (0.48) MLYCD
SCHEMBL1898629 0.68 MLYCD (1.00) MLYCD
SCHEMBL1897897 0.68 MLYCD (0.65) MLYCD
SCHEMBL11628816 0.68 NAMPT (0.67) SMN1; SMN2SORT1GSK3BL3MBTL1NAMPT
Hydrochloric Acid SCHEMBL11627973 0.67 SORT1 (0.65) SMN1; SMN2SORT1GSK3BL3MBTL1NAMPT
SCHEMBL3614049 0.67 NAMPT (0.56) SMN1; SMN2HSD17B10SORT1GSK3BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 EP claimed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 US claimed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 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 (1 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-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ME3, ACACA MLYCD 1/4885SMN1; SMN2 2783/4885HSD17B10 75/4885

“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.