SCHEMBL2866036

SCHEMBL2866036

CC(C)(S)CN(C(=O)Oc1ccc(-c2nn[nH]n2)cc1)c1ccc2ncsc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
XDH P47989 4/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP19A1 P11511 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.38
PDE10A Q9Y233 2/20 0.37
CYSLTR2 Q9NS75 3/20 0.36
CYSLTR1 Q9Y271 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C8 P10632 2/20 0.36
GRM2 Q14416 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3409623 0.83 ALDH1A1 (0.38) ALDH1A1TP53XDHLMNACYP2C9
SCHEMBL2863749 0.83 NPC1 (0.40) ALDH1A1LMNAPDE10AL3MBTL1KMT2A
SCHEMBL2858382 0.82 ALDH1A1 (0.40) ALDH1A1TP53XDHLMNACYP2C9
SCHEMBL2866857 0.82 GFER (0.39) ALDH1A1PDE10AL3MBTL1KMT2A
SCHEMBL2861333 0.81 MEN1 (0.44) ALDH1A1PDE10AL3MBTL1KMT2A
SCHEMBL2859669 0.81 SLC22A12 (0.40) ALDH1A1TP53LMNAPDE10AL3MBTL1
SCHEMBL2866246 0.81 ALDH1A1 (0.34) ALDH1A1TP53XDHLMNACYP2C9
SCHEMBL2862160 0.80 PDE10A (0.35) ALDH1A1TP53LMNAPDE10AL3MBTL1
SCHEMBL2859929 0.80 ALDH1A1 (0.40) ALDH1A1PDE10AKMT2A
SCHEMBL2866715 0.79 PDE10A (0.37) ALDH1A1PDE10AL3MBTL1KMT2A

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 5 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-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US 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 ALDH1A1 146/4885TP53 2618/4885XDH 550/4885

“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.