SCHEMBL14924932

SCHEMBL14924932

CC#CCc1cc(C(=O)NNC(=S)Nc2ccc(CN3CCOCC3)cc2)c(C)cc1C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL14924985 0.91 NPC1 (0.48) MAPTKMT2AMAPK1NPC1LMNA
SCHEMBL14924991 0.90 NPC1 (0.56) MAPTKMT2AMAPK1NPC1LMNA
SCHEMBL14924989 0.86 SMN1; SMN2 (0.47) MAPTKMT2AMAPK1NPC1LMNA
SCHEMBL14767971 0.86 KMT2A (0.54) MAPTKMT2AMAPK1NPC1LMNA
SCHEMBL14767967 0.83 KMT2A (0.51) MAPTKMT2AMAPK1NPC1LMNA
SCHEMBL14924915 0.82 ALDH1A1 (0.54) MAPTKMT2AMAPK1NPC1LMNA
SCHEMBL14029795 0.82 MAPK1 (0.47) MAPTKMT2AMAPK1LMNAALDH1A1
SCHEMBL14924974 0.81 SMN1; SMN2 (0.43) MAPTKMT2AMAPK1NPC1LMNA
SCHEMBL14930822 0.79 NPC1 (0.47) KMT2AMAPK1NPC1LMNAALDH1A1
SCHEMBL14930825 0.77 NPC1 (0.56) KMT2AMAPK1NPC1LMNAALDH1A1

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
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

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 MAPT 2935/4885KMT2A 3665/4885MAPK1 287/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 MAPT 2935/4885KMT2A 3665/4885MAPK1 287/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 MAPT 2935/4885KMT2A 3665/4885MAPK1 287/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 MAPT 2935/4885KMT2A 3665/4885MAPK1 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.