SCHEMBL4085453

SCHEMBL4085453

N#CCOc1cc(-c2nc(N)nc(SCCC(=O)Nc3nccs3)n2)c(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 7/20 0.41
LMNA P02545 1/20 0.38
RAB9A P51151 5/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
NPC1 O15118 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 4/20 0.35
PKM P14618 2/20 0.35
HSP90B1 P14625 1/20 0.35
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL4090304 0.85 LMNA (0.43) HSP90AB1ALDH1A1LMNAKMT2AMEN1
SCHEMBL4091826 0.85 HSP90AA1 (0.46) HSP90AB1ALDH1A1HSP90AA1KDM4EPOLB
SCHEMBL4096157 0.84 HSP90AB1 (0.46) HSP90AB1LMNAHPGDHSP90AA1POLB
SCHEMBL4085460 0.83 HSP90AB1 (0.44) HSP90AB1HPGDHSP90AA1POLBMAPK1
SCHEMBL4086622 0.83 HSP90AA1 (0.48) HSP90AB1HSP90AA1KDM4ETP53MAPK1
SCHEMBL4090231 0.82 HSP90AB1 (0.41) HSP90AB1HSP90AA1KDM4E
SCHEMBL4091813 0.82 ATM (0.43) HSP90AB1ALDH1A1LMNARAB9AKMT2A
SCHEMBL4096191 0.80 HSP90AB1 (0.43) HSP90AB1ALDH1A1KMT2ANPSR1SMN1; SMN2
SCHEMBL4094051 0.78 HSP90AB1 (0.47) HSP90AB1RAB9AHSP90AA1CYP2C19POLB
SCHEMBL4093798 0.78 HSP90AB1 (0.47) HSP90AB1ALDH1A1LMNAGAAHSP90AA1

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 11 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

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 HSP90AB1 1/4885ALDH1A1 1619/4885LMNA 3916/4885

“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.