SCHEMBL3404271

SCHEMBL3404271

CC(C)(S)CN(C(=O)Oc1ccc(-c2cc(O)no2)cc1)c1ccc2ncsc2n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMPD1 P17405 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
THRB P10828 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
SCHEMBL2862160 0.84 PDE10A (0.35) MAPTLMNATP53SMPD1ALDH1A1
SCHEMBL3404306 0.83 LMNA (0.34) MAPTLMNAALDH1A1
SCHEMBL3407756 0.81 SMPD1 (0.34) MAPTLMNATP53SMPD1ALDH1A1
SCHEMBL3409576 0.81 LIPE (0.36) MAPTALDH1A1HPGD
SCHEMBL3403343 0.81 SLC22A12 (0.38) MAPTLMNATP53ALDH1A1
SCHEMBL3409623 0.80 ALDH1A1 (0.38) LMNATP53ALDH1A1
SCHEMBL3403241 0.79 KMT2A (0.33)
SCHEMBL3406190 0.78 IRAK4 (0.32)
SCHEMBL3406730 0.77 SCN9A (0.31)
SCHEMBL3404353 0.76 TP53 (0.36) MAPTLMNATP53SMPD1ALDH1A1

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 MAPT 3030/4885LMNA 4406/4885TP53 2618/4885

“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.