SCHEMBL2863097

SCHEMBL2863097

O=C(Oc1ccc(C(F)(F)F)cc1)N(CCCCc1nn[nH]n1)c1ccc2nc(S)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.45
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
P2RY12 Q9H244 2/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 2/20 0.35
CACNA1H O95180 1/20 0.35
FFAR2 O15552 7/20 0.35
TMPRSS15 P98073 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CSNK1D P48730 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL2859557 0.90 PDE3B (0.38) MLYCDPDE3BPDE3AP2RY12MAPT
SCHEMBL2857234 0.89 MLYCD (0.39) MLYCDPDE3BPDE3AP2RY12TMPRSS15
SCHEMBL2866243 0.88 PDE3B (0.39) MLYCDPDE3BPDE3AP2RY12TMPRSS15
SCHEMBL2863658 0.87 PDE3B (0.36) MLYCDPDE3BPDE3AP2RY12CACNA1B
SCHEMBL2866438 0.87 CA2 (0.37) MLYCDPDE3BPDE3AP2RY12TMPRSS15
SCHEMBL2867049 0.86 PDE3B (0.35) MLYCDPDE3BPDE3AP2RY12TMPRSS15
SCHEMBL2861041 0.86 MLYCD (0.45) MLYCDCSNK1D
SCHEMBL3401944 0.86 MLYCD (0.41) MLYCDPDE3BPDE3AP2RY12MAPT
SCHEMBL2860761 0.84 PDE3B (0.36) MLYCDPDE3BPDE3AP2RY12TMPRSS15
SCHEMBL2868103 0.83 PPARA (0.40) MLYCDMAPTCACNA1BCACNA1HTMPRSS15

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 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.