SCHEMBL3406293

SCHEMBL3406293

O=C(Oc1ccc(-c2nn[nH]n2)cc1)N(CC(S)CCc1nn[nH]n1)c1ccc2ncsc2n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYSLTR1 Q9Y271 3/20 0.32
CYSLTR2 Q9NS75 2/20 0.32
XDH P47989 5/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM2 Q14416 3/20 0.31
PDE3A Q14432 3/20 0.31
PDE3B Q13370 1/20 0.31
P2RY12 Q9H244 1/20 0.31
SCN9A Q15858 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL3405781 0.91 HSD11B1 (0.30) PDE3APDE3BP2RY12SCN9A
SCHEMBL3403853 0.90 NAALAD2 (0.31)
SCHEMBL3401947 0.89 FFAR2 (0.35)
SCHEMBL3406285 0.88 KEAP1 (0.32)
SCHEMBL3405759 0.88 CYSLTR1 (0.31) CYSLTR1CYSLTR2
SCHEMBL3406730 0.88 SCN9A (0.31) PDE3APDE3BP2RY12SCN9A
SCHEMBL3409974 0.86
SCHEMBL2866246 0.85 ALDH1A1 (0.34) LMNAALDH1A1TP53CYSLTR1CYSLTR2
SCHEMBL3402152 0.83 NAALAD2 (0.37)
SCHEMBL3409623 0.81 ALDH1A1 (0.38) LMNAALDH1A1TP53CYSLTR1CYSLTR2

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 LMNA 4406/4885ALDH1A1 146/4885TP53 2618/4885

“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.