SCHEMBL3406261

SCHEMBL3406261

N#CCc1ccc(C(=O)N(CCCCc2nn[nH]n2)c2ccc3nc(S)sc3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.33
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL3407428 0.90 MLYCD (0.34) MLYCDPDE3BPDE3AP2RY12
SCHEMBL3403346 0.88 MLYCD (0.36) MLYCDAGTR1AGTR2PDE3BPDE3A
SCHEMBL3403716 0.88 MLYCD (0.32) MLYCDPDE3BPDE3AP2RY12
SCHEMBL3405756 0.88 CYSLTR2 (0.34) MLYCDCYSLTR2CYSLTR1PDE3BPDE3A
SCHEMBL3403239 0.87 MLYCD (0.35) MLYCDAGTR1AGTR2PDE3BPDE3A
SCHEMBL3406275 0.87 MLYCD (0.36) MLYCDPDE3BPDE3AP2RY12
SCHEMBL3406656 0.85 MLYCD (0.43) MLYCD
SCHEMBL3406518 0.85 POLB (0.34) MLYCDPDE3BPDE3AP2RY12
SCHEMBL3403831 0.83 NPC1 (0.34)
SCHEMBL3402147 0.83 MLYCD (0.39) MLYCDCYSLTR2CYSLTR1PDE3BPDE3A

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 MLYCD 4/4885AGTR1 293/4885AGTR2 540/4885

“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.