SCHEMBL3408418

SCHEMBL3408418

CCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.36
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 3/20 0.33
HCAR3 P49019 2/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
ALDH2 P05091 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
UBE2N P61088 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
SCHEMBL3405142 0.86 MLYCD (0.43) MAPK14NPC1MEN1KMT2AHPGD
SCHEMBL3403912 0.86 MLYCD (0.40) MAPK14ALDH1A1LMNASMN1; SMN2
SCHEMBL3405174 0.85 GAA (0.35) NPC1KMT2ARAB9AALDH1A1
SCHEMBL3406504 0.84 SMN1; SMN2 (0.39) NPC1MEN1KMT2ARAB9AHPGD
SCHEMBL3409512 0.82 XDH (0.41) ALDH1A1LMNA
SCHEMBL3403704 0.81 MLYCD (0.34) NPC1MEN1KMT2ARAB9AHPGD
SCHEMBL3408163 0.81 MLYCD (0.30)
SCHEMBL3407823 0.77 ADORA2A (0.39) MAPK14MEN1KMT2ARAB9AALDH1A1
SCHEMBL3409438 0.77 TDP1 (0.33) NPC1KMT2ARAB9AALDH1A1LMNA
SCHEMBL3404213 0.76 MAPT (0.35) NPC1MEN1KMT2ARAB9AALDH1A1

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 MAPK14 2706/4885NPC1 833/4885MEN1 669/4885

“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.