SCHEMBL3406504

SCHEMBL3406504

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HPGD P15428 1/20 0.34
CSNK2A1 P68400 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HCAR3 P49019 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KMT2A Q03164 4/20 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
SCHEMBL3406254 0.87 LMNA (0.45) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL3410435 0.87 NPC1 (0.42) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL3403717 0.85 GPBAR1 (0.38) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3406797 0.85 TP53 (0.43) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL3406370 0.84 MAPT (0.37) RAB9ANPC1KDM4EMAPT
SCHEMBL3403704 0.84 MLYCD (0.34) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL3408418 0.84 MAPK14 (0.36) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL3403908 0.84 NPC1 (0.32) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL3405278 0.83 SMN1; SMN2 (0.36) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL3407676 0.81 TAS2R14 (0.36) SMN1; SMN2RAB9ANPC1HPGDTDP1

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 SMN1; SMN2 3627/4885RAB9A 2100/4885NPC1 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.