SCHEMBL4085541

SCHEMBL4085541

N#CCOc1cc(-c2nc(N)nc(SCCC(=O)N3CCOCC3)n2)c(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
FKBP1A P62942 1/20 0.42
HSP90AA1 P07900 5/20 0.39
HSP90AB1 P08238 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL13928063 0.90 HSD17B10 (0.49) HSD17B10FKBP1AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL4091082 0.85 HSP90AA1 (0.44) HSD17B10HSP90AA1HSP90AB1HPGD
SCHEMBL4085460 0.84 HSP90AB1 (0.44) HSP90AA1HSP90AB1HTTHPGD
SCHEMBL4367896 0.83 HSD17B10 (0.53) HSD17B10HSP90AA1ALDH1A1KDM4EMEN1
SCHEMBL4096157 0.82 HSP90AB1 (0.46) HSP90AA1HSP90AB1HTTHPGDLMNA
SCHEMBL4091826 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1KDM4EHTT
SCHEMBL4086622 0.79 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4E
SCHEMBL4085614 0.79 HSP90AB1 (0.41) HSP90AA1HSP90AB1
SCHEMBL4090231 0.78 HSP90AB1 (0.41) HSP90AA1HSP90AB1KDM4E
SCHEMBL4094051 0.78 HSP90AB1 (0.47) HSP90AA1HSP90AB1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP claimed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP claimed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US claimed
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP disclosed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP 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-20090247524-A1 HSP90 Inhibitor HSP90AB1, HSP90B1, HSP90AA1 HSD17B10 244/4885FKBP1A 28/4885HSP90AA1 3/4885

“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.