SCHEMBL14029937

SCHEMBL14029937

COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(S(=O)(=O)CC(=O)N(C)C)n1-c1ccc(OC)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 3/20 0.33
HSP90AB1 P08238 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL14925076 0.85 CHRNA7 (0.37) CHRNA7MEN1KMT2AL3MBTL1TP53
SCHEMBL5003247 0.85 HSP90AB1 (0.47) HSP90AA1HSP90AB1
SCHEMBL4999439 0.85 ESR1 (0.34) MEN1KMT2AL3MBTL1HSP90AA1HSP90AB1
SCHEMBL5003223 0.85 OXTR (0.35) MEN1KMT2AL3MBTL1MAPTSMN1; SMN2
SCHEMBL14029932 0.83 MEN1 (0.47) MEN1KMT2AL3MBTL1TP53ALDH1A1
SCHEMBL14925070 0.79 ESR1 (0.33) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL14029941 0.78 MAPK1 (0.35) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL14029931 0.77 OXTR (0.36) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL14029938 0.77 L3MBTL1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL5006532 0.76 TLR8 (0.43) MEN1KMT2AL3MBTL1TP53ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed

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-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 CHRNA7 4858/4885MEN1 4757/4885KMT2A 3396/4885

“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.