SCHEMBL3409512

SCHEMBL3409512

CCN(C(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.41
TP53 P04637 2/20 0.38
PTGER4 P35408 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ADH5 P11766 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR35 Q9HC97 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL3403116 0.90 XDH (0.39) XDHTP53PTGER4LMNAEPHX2
SCHEMBL3403615 0.87 XDH (0.43) XDHTP53PTGER4LMNAEPHX2
SCHEMBL3408357 0.87 XDH (0.43) XDHTP53GPR35
SCHEMBL3407983 0.87 TP53 (0.40) XDHTP53ALDH1A1LMNACYP19A1
SCHEMBL3403628 0.85 XDH (0.35) XDHPTGER4LMNAEPHX2NR1H4
SCHEMBL3403239 0.85 MLYCD (0.35) XDHPTGER4LMNAEPHX2NR1H4
SCHEMBL3405185 0.84 XDH (0.41) XDHTP53PTGER4LMNAEPHX2
SCHEMBL3408418 0.82 MAPK14 (0.36) ALDH1A1LMNA
SCHEMBL3408849 0.80 MLYCD (0.40) ALDH1A1LMNA
SCHEMBL3408907 0.79 XDH (0.41) XDHCYP2C9CYP2C19GPR35

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 XDH 550/4885TP53 2618/4885PTGER4 4576/4885

“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.