SCHEMBL3409623

SCHEMBL3409623

CC(C)(S)CN(C(=O)Oc1ccc(-c2nn[nH]n2)cc1)c1ccc2ncsc2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.37
XDH P47989 8/20 0.37
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GRM2 Q14416 3/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL2866036 0.83 ALDH1A1 (0.40) ALDH1A1TP53LMNAXDHCYP19A1
SCHEMBL3404306 0.83 LMNA (0.34) ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL3404349 0.82 IRAK4 (0.31)
SCHEMBL3403848 0.81 ALDH1A1 (0.38) ALDH1A1TP53LMNAXDHCYP19A1
SCHEMBL3409576 0.81 LIPE (0.36) ALDH1A1CYP2C9KMT2A
SCHEMBL3406293 0.81 LMNA (0.33) ALDH1A1TP53LMNAXDHCYP19A1
SCHEMBL3403343 0.81 SLC22A12 (0.38) ALDH1A1TP53LMNACYP2C9L3MBTL1
SCHEMBL3406420 0.80 CA2 (0.36) KMT2A
SCHEMBL3404271 0.80 MAPT (0.33) ALDH1A1TP53LMNA
SCHEMBL3403241 0.79 KMT2A (0.33) KMT2A

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 ALDH1A1 146/4885TP53 2618/4885LMNA 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.