SCHEMBL3403373

SCHEMBL3403373

CC(C)N(C(=O)c1ccc(CC#N)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL3405278 0.86 SMN1; SMN2 (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2GPR119
SCHEMBL3405070 0.86 MAPT (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3405776 0.86 ATM (0.33) KMT2AGPR119
SCHEMBL3409793 0.85 KMT2A (0.37) KMT2A
SCHEMBL3405770 0.85 KMT2A (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2PIK3CA
SCHEMBL3407755 0.84 GPR119 (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2GPR119
SCHEMBL3403704 0.84 MLYCD (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3401870 0.82 LMNA (0.34) KMT2AALDH1A1SMN1; SMN2
SCHEMBL3406523 0.80 HDAC8 (0.39)
SCHEMBL3406734 0.80 CA2 (0.35)

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 KMT2A 1536/4885MEN1 669/4885ALDH1A1 146/4885

“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.