SCHEMBL3407657

SCHEMBL3407657

CN(C(=O)OCCCCCC(=O)O)c1ccc2nc(S)sc2n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.33
PDE3A Q14432 6/20 0.33
PDE2A O00408 4/20 0.33
LTB4R Q15722 7/20 0.33
P2RY12 Q9H244 3/20 0.32
PPARA Q07869 3/20 0.32
PPARG P37231 2/20 0.32
ALDH1A1 P00352 2/20 0.31
FFAR1 O14842 1/20 0.30
PPARD Q03181 1/20 0.30
ALB P02768 1/20 0.30
LMNA P02545 1/20 0.30
PRNP P04156 1/20 0.30
RECQL P46063 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL3404443 0.88 LTB4R (0.32) PDE3BPDE3APDE2ALTB4RP2RY12
SCHEMBL3403724 0.87 PDE2A (0.33) PDE3BPDE3APDE2ALTB4RP2RY12
SCHEMBL3406300 0.86 PDE3B (0.34) PDE3BPDE3APDE2ALTB4RP2RY12
SCHEMBL3409159 0.85 MAOB (0.35) PDE3BPDE3ALTB4RP2RY12ALDH1A1
SCHEMBL3404088 0.85 DPP4 (0.32) PDE3BPDE3APDE2ALTB4RP2RY12
SCHEMBL3406382 0.81 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL3405151 0.81
SCHEMBL3409438 0.77 TDP1 (0.33) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL3403908 0.76 NPC1 (0.32) LMNA
SCHEMBL3403741 0.76 LDHA (0.32) ALDH1A1LMNAPRNPRECQLRXFP1

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-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
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed

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 PDE3B 1953/4885PDE3A 2151/4885PDE2A 2556/4885

“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.