SCHEMBL3407756

SCHEMBL3407756

CC(CS)N(C(=O)Oc1ccc(-c2cc(O)no2)cc1)c1ccc2ncsc2n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 5/20 0.33
TP53 P04637 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 3/20 0.32
MAPK1 P28482 1/20 0.32
STAT1 P42224 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RECQL P46063 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
SCHEMBL2864066 0.84 SMPD1 (0.37) SMPD1THRBMAPTTP53LMNA
SCHEMBL3407194 0.83 MAPT (0.32) THRBMAPTLMNANPC1RAB9A
SCHEMBL3405645 0.82 ABHD6 (0.30)
SCHEMBL3404271 0.81 MAPT (0.33) SMPD1THRBMAPTTP53LMNA
SCHEMBL3404966 0.81 MMP2 (0.36) MAPTTP53LMNAALDH1A1
SCHEMBL3408864 0.81 LIPE (0.35) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3409347 0.80 CA2 (0.36)
SCHEMBL3403848 0.80 ALDH1A1 (0.38) TP53LMNAALDH1A1
SCHEMBL3409796 0.79 KMT2A (0.35)
SCHEMBL3405072 0.78 IRAK4 (0.32)

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 SMPD1 644/4885THRB 3015/4885MAPT 3030/4885

“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.