SCHEMBL3404306

SCHEMBL3404306

CC(C)(S)CN(C(=O)Oc1ccc(Cl)cc1)c1ccc2ncsc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
MAPT P10636 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
HTT P42858 1/20 0.32
ELANE P08246 1/20 0.32
LIPE Q05469 1/20 0.32
PI4KB Q9UBF8 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3409576 0.88 LIPE (0.36) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3403343 0.87 SLC22A12 (0.38) LMNAMAPTKDM4EALDH1A1PPARG
SCHEMBL3403241 0.86 KMT2A (0.33) KMT2A
SCHEMBL3406190 0.85 IRAK4 (0.32) IRAK4
SCHEMBL3409623 0.83 ALDH1A1 (0.38) LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL3404271 0.83 MAPT (0.33) LMNAMAPTALDH1A1
SCHEMBL3410002 0.81 IRAK4 (0.35) NPC1RAB9AKDM4EIRAK4L3MBTL1
SCHEMBL2863749 0.80 NPC1 (0.40) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3407194 0.78 MAPT (0.32) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3405781 0.73 HSD11B1 (0.30)

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 LMNA 4406/4885MAPT 3030/4885NPC1 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.