SCHEMBL14767967

SCHEMBL14767967

CC#CCc1cc(C(=O)NNC(=S)Nc2ccc(CN3CCOCC3)cc2)c(OCOC)cc1OCOC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.45
RAB9A P51151 2/20 0.45
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL14029795 0.89 MAPK1 (0.47) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5002691 0.84 MAPK1 (0.51) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14767971 0.84 KMT2A (0.54) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14924932 0.83 MAPT (0.51) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14029827 0.81 CACNA1B (0.43) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14029825 0.80 CACNA1B (0.49) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14029826 0.77 MAPK1 (0.42) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14029851 0.75 ALK (0.41) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5008710 0.75 MAPT (0.51) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL14924985 0.75 NPC1 (0.48) KMT2AMAPTMAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
EP-1857446-B1 Derivatives of 3-(2,4-dihydroxyphenyl)-1,2,4-triazole useful in the treatment of cancer NIPPON KAYAKU KK (JP) 2013-05-01 EP disclosed
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 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 (4 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KMT2A 3665/4885MAPT 2935/4885MAPK1 287/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KMT2A 3665/4885MAPT 2935/4885MAPK1 287/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KMT2A 3665/4885MAPT 2935/4885MAPK1 287/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KMT2A 3665/4885MAPT 2935/4885MAPK1 287/4885

“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.