SCHEMBL3404966

SCHEMBL3404966

CC(CS)N(C(=O)Oc1ccc(C#N)cc1)c1ccc2ncsc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.36
MAOB P27338 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MAPT P10636 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SCN9A Q15858 6/20 0.33
MMP3 P08254 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MGLL Q99685 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3409796 0.89 KMT2A (0.35)
SCHEMBL3407194 0.87 MAPT (0.32) MAOBMAPTLMNAALDH1A1CYP2C9
SCHEMBL3405645 0.86 ABHD6 (0.30)
SCHEMBL3408864 0.85 LIPE (0.35) MAPTTRPM8ALDH1A1CYP2C9PPARG
SCHEMBL3409347 0.84 CA2 (0.36)
SCHEMBL2866012 0.83 PDE10A (0.39) MMP2MAOBSLC22A12MAPTLMNA
SCHEMBL3403848 0.81 ALDH1A1 (0.38) LMNATP53ALDH1A1CYP2C9PPARG
SCHEMBL3407756 0.81 SMPD1 (0.34) MAPTLMNATP53ALDH1A1
SCHEMBL3403343 0.79 SLC22A12 (0.38) MMP2SLC22A12MAPTTRPM8LMNA
SCHEMBL3433640 0.79 MEN1 (0.37) MAPTLMNATP53SCN9AALDH1A1

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 MMP2 3505/4885MAOB 1307/4885SLC22A12 1395/4885

“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.