SCHEMBL14767971

SCHEMBL14767971

CC#CCc1cc(C(=O)NNC(=S)Nc2ccc(CN3CCOCC3)cc2)c(OC)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.53
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47

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
SCHEMBL14924932 0.86 MAPT (0.51) KMT2AMAPTMAPK1RAB9ANPC1
SCHEMBL14767967 0.84 KMT2A (0.51) KMT2AMAPTMAPK1RAB9ANPC1
SCHEMBL5002692 0.83 KMT2A (0.54) KMT2AMAPTMAPK1RAB9ANPC1
SCHEMBL14029795 0.81 MAPK1 (0.47) KMT2AMAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL14924985 0.77 NPC1 (0.48) KMT2AMAPTMAPK1RAB9ANPC1
SCHEMBL14930822 0.77 NPC1 (0.47) KMT2AMAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL14924991 0.75 NPC1 (0.56) KMT2AMAPTMAPK1RAB9ANPC1
SCHEMBL14930825 0.75 NPC1 (0.56) KMT2AMAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL4999217 0.74 LMNA (0.50) KMT2AMAPTMAPK1RAB9ANPC1
SCHEMBL14924989 0.73 SMN1; SMN2 (0.47) KMT2AMAPTMAPK1RAB9ANPC1

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-20130116252-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
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.