SCHEMBL3403343

SCHEMBL3403343

CC(C)(S)CN(C(=O)Oc1ccc(C#N)cc1)c1ccc2ncsc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
SCN9A Q15858 4/20 0.33
MAPT P10636 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CACNA1B Q00975 2/20 0.32
PPARG P37231 2/20 0.32
CYP2C9 P11712 1/20 0.32
PPARA Q07869 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1H O95180 1/20 0.32
MGLL Q99685 2/20 0.32
POLB P06746 1/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
KDM4E B2RXH2 1/20 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
SCHEMBL3403241 0.89 KMT2A (0.33) KMT2A
SCHEMBL3404306 0.87 LMNA (0.34) MAPTLMNACYP11B1CYP11B2ALDH1A1
SCHEMBL3409576 0.86 LIPE (0.36) SCN9AMAPTTRPM8CYP11B1CYP11B2
SCHEMBL3406190 0.83 IRAK4 (0.32)
SCHEMBL2859669 0.82 SLC22A12 (0.40) SLC22A12SCN9AMAPTTRPM8LMNA
SCHEMBL3409623 0.81 ALDH1A1 (0.38) LMNATP53ALDH1A1CYP2C9KMT2A
SCHEMBL3404271 0.81 MAPT (0.33) MAPTLMNATP53ALDH1A1
SCHEMBL3404966 0.79 MMP2 (0.36) SLC22A12SCN9AMAPTTRPM8LMNA
SCHEMBL3410002 0.78 IRAK4 (0.35) POLBKDM4EHKDC1TDP1L3MBTL1
SCHEMBL3403727 0.74 CYSLTR2 (0.30)

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 SLC22A12 1395/4885SCN9A 3498/4885MAPT 3030/4885

“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.