SCHEMBL3407755

SCHEMBL3407755

CCN(C(=O)c1ccc(CC#N)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.34
MAPK14 Q16539 5/20 0.33
NPC1 O15118 1/20 0.31
UBE2N P61088 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
MLYCD O95822 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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
SCHEMBL3405776 0.89 ATM (0.33) GPR119MAPK14KMT2A
SCHEMBL3405278 0.87 SMN1; SMN2 (0.36) GPR119NPC1PIK3CAPIK3CGMEN1
SCHEMBL3405142 0.87 MLYCD (0.43) MAPK14NPC1MLYCDMEN1ALDH1A1
SCHEMBL3404273 0.85 KMT2A (0.35) MEN1KMT2A
SCHEMBL3406691 0.85 KMT2A (0.37) NPC1PIK3CAPIK3CGMEN1ALDH1A1
SCHEMBL3408418 0.85 MAPK14 (0.36) MAPK14NPC1UBE2NMEN1ALDH1A1
SCHEMBL3403373 0.84 KMT2A (0.32) GPR119PIK3CAPIK3CGMEN1ALDH1A1
SCHEMBL3403831 0.84 NPC1 (0.34) NPC1UBE2NMEN1KMT2A
SCHEMBL3408849 0.82 MLYCD (0.40) MAPK14MLYCDALDH1A1KMT2AMAPT
SCHEMBL3403912 0.81 MLYCD (0.40) MAPK14MLYCDALDH1A1SMN1; SMN2

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 GPR119 34/4885MAPK14 2706/4885NPC1 833/4885

“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.