SCHEMBL3404301

SCHEMBL3404301

CC(C)CN(C(=O)Oc1ccc(Cl)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 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
CTRC Q99895 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA2 P00918 2/20 0.31
THRB P10828 1/20 0.31
CSNK1D P48730 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 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
SCHEMBL3404345 0.89
SCHEMBL3408841 0.89 KMT2A (0.36) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL3410046 0.87 MAPT (0.36) BCHEMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3403339 0.87 SCN9A (0.33) MAPTLMNATHRB
SCHEMBL3406418 0.86 CA2 (0.39) KDM4ECA2
SCHEMBL3403237 0.85 KMT2A (0.34) BCHEKMT2A
SCHEMBL3407193 0.84 MAPT (0.34) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL3406188 0.84
SCHEMBL3404381 0.83 LMNA (0.42) MAPTSMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL3404268 0.82 HPGD (0.34) MAPTSMN1; SMN2RAB9AALDH1A1NPC1

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 BCHE 1263/4885MAPT 3030/4885SMN1; SMN2 3627/4885

“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.