SCHEMBL3407752

SCHEMBL3407752

CC(C)N(C(=O)Oc1ccc(-c2cc(O)no2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 5/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
CA2 P00918 1/20 0.32
SMPD1 P17405 1/20 0.32
MAPK1 P28482 1/20 0.32
STAT1 P42224 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CDH1 P12830 1/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
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
SCHEMBL3405819 0.88 MAPT (0.34) THRBMAPTLMNATP53NPC1
SCHEMBL3404268 0.87 HPGD (0.34) THRBMAPTLMNATP53NPC1
SCHEMBL3404648 0.86 HDAC4 (0.34) MAPTMAPK1
SCHEMBL3404353 0.85 TP53 (0.36) THRBMAPTLMNATP53NPC1
SCHEMBL2864064 0.85 CA2 (0.36) THRBMAPTLMNATP53NPC1
SCHEMBL3404358 0.84 MAPT (0.37) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3407193 0.81 MAPT (0.34) THRBMAPTLMNANPC1RAB9A
SCHEMBL3405643 0.80 CA2 (0.33) MAPTRAB9ACA2
SCHEMBL3403697 0.79 TMPRSS15 (0.32) CDH1CTNNB1TCF7L2
SCHEMBL3409343 0.79 CA2 (0.41) TP53CA2

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 THRB 3015/4885MAPT 3030/4885LMNA 4406/4885

“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.