SCHEMBL650043

SCHEMBL650043

O=C(NCc1cccnc1)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 13/20 0.56
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL12828601 0.77 ALDH1A1 (0.50) NPSR1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL648813 0.69 MLYCD (0.62) MLYCD
SCHEMBL15319936 0.69 ALDH1A1 (0.73) NPSR1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7663247 0.68 RECQL (0.64) NPSR1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11625535 0.68 ALDH1A1 (0.76) NPSR1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4418772 0.68 NPSR1 (0.63) NPSR1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL12828886 0.67 NAMPT (0.48) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7082686 0.67 TSHR (0.73) NPSR1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL9130703 0.66 FES (0.81) NPSR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29460250 0.66 FES (0.81) NPSR1MAPTSMN1; SMN2ALDH1A1

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
US-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 US claimed
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 EP claimed
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 US claimed
JP-2004527475-A 2004-09-09 JP claimed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 US claimed
EP-1411929-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-28 EP claimed
WO-2002058698-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 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-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885NPSR1 4820/4885MAPT 1917/4885
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ME3, ACACA MLYCD 1/4885NPSR1 4820/4885MAPT 1917/4885

“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.