SCHEMBL3410046

SCHEMBL3410046

CC(C)CN(C(=O)Oc1ccc(C(F)(F)F)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCHR1 Q99705 3/20 0.35
CSNK1D P48730 2/20 0.32
LIPE Q05469 2/20 0.32
MMP3 P08254 1/20 0.32
BCHE P06276 1/20 0.32
KIF11 P52732 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SCN9A Q15858 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31

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
SCHEMBL3406193 0.89 MAPT (0.37) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL3404345 0.88
SCHEMBL3404301 0.87 BCHE (0.33) MAPTKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL3406188 0.87
SCHEMBL3408861 0.85 MAPT (0.37) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL3406303 0.85 MLYCD (0.39) MCHR1MMP3BCHE
SCHEMBL3403339 0.85 SCN9A (0.33) MAPTMMP3SCN9AMMP2
SCHEMBL3405096 0.84 LIPE (0.41) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL3406418 0.84 CA2 (0.39) KDM4E
SCHEMBL3403237 0.83 KMT2A (0.34) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 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 (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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 MAPT 3030/4885KDM4E 675/4885NPC1 833/4885

“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.