SCHEMBL3407983

SCHEMBL3407983

CCN(C(=O)Oc1ccc(-c2nn[nH]n2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
XDH P47989 8/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.37
CYSLTR2 Q9NS75 4/20 0.36
CYSLTR1 Q9Y271 4/20 0.36
GPR35 Q9HC97 1/20 0.36
GRM2 Q14416 2/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL3409617 0.90 MCL1 (0.41) TP53ALDH1A1XDHCYP19A1CYP2C9
SCHEMBL3410280 0.88 XDH (0.39) TP53ALDH1A1XDHCYP19A1CYP2C9
SCHEMBL3409512 0.87 XDH (0.41) TP53ALDH1A1XDHCYP19A1CYP2C9
SCHEMBL3405763 0.86 TMPRSS15 (0.37) TP53ALDH1A1XDHCYP19A1CYP2C9
SCHEMBL3406289 0.86 PDE3B (0.37) TP53ALDH1A1XDHCYP19A1CYP2C9
SCHEMBL3403841 0.85 XDH (0.39) TP53ALDH1A1XDHCYP19A1CYP2C9
SCHEMBL3408357 0.84 XDH (0.43) TP53XDHGPR35
SCHEMBL3408841 0.81 KMT2A (0.36) ALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL3404450 0.80 MEN1 (0.34)
SCHEMBL3409896 0.80 MGLL (0.37) TP53ALDH1A1LMNA

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 TP53 2618/4885ALDH1A1 146/4885XDH 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.