SCHEMBL3401944

SCHEMBL3401944

O=C(Oc1ccc(C(F)(F)F)cc1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.41
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 0.35
FFAR2 O15552 9/20 0.32
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
MAPT P10636 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1B Q00975 1/20 0.31
CLK2 P49760 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
SCHEMBL3403843 0.90 PDE3B (0.35) MLYCDPDE3BPDE3AP2RY12CYSLTR2
SCHEMBL3405778 0.90 PDE3B (0.36) MLYCDPDE3BPDE3AP2RY12CYSLTR2
SCHEMBL3409973 0.89 MLYCD (0.36) MLYCDPDE3BPDE3AP2RY12CYSLTR2
SCHEMBL3406289 0.88 PDE3B (0.37) MLYCDPDE3BPDE3AP2RY12CYSLTR2
SCHEMBL3406656 0.88 MLYCD (0.43) MLYCDFFAR2CLK2
SCHEMBL3403725 0.87 PDE3B (0.35) MLYCDPDE3BPDE3AP2RY12CYSLTR2
SCHEMBL3406284 0.87 PDE3B (0.34) MLYCDPDE3BPDE3AP2RY12CYSLTR2
SCHEMBL3405756 0.86 CYSLTR2 (0.34) MLYCDPDE3BPDE3AP2RY12CYSLTR2
SCHEMBL2863097 0.86 MLYCD (0.45) MLYCDPDE3BPDE3AP2RY12FFAR2
SCHEMBL3406478 0.86 MLYCD (0.41) MLYCDFFAR2CLK2

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 4/4885PDE3B 1953/4885PDE3A 2151/4885

“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.