SCHEMBL4095647

SCHEMBL4095647

COc1ccc(OC)c(Sc2cc(-c3ccc(OCC(N)=O)cc3C)nc(N)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
DHFR P00374 5/20 0.39
ACACA Q13085 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TYMS P04818 2/20 0.37
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36

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
SCHEMBL15101660 0.93 TSHR (0.42) MEN1KMT2AACACATSHRPOLB
SCHEMBL14642116 0.88 DHFR (0.42) DHFRTYMSEGFRKDRLRRK2
SCHEMBL4086287 0.87 DHFR (0.40) DHFRTSHRTYMSEGFRKDR
SCHEMBL4094840 0.86 DHFR (0.39) DHFRTYMSEGFRKDRLRRK2
SCHEMBL4093637 0.85 MAOB (0.48) DHFRTYMSEGFRKDRLRRK2
SCHEMBL4086671 0.84 DHFR (0.39) DHFRTYMSEGFRKDRLRRK2
SCHEMBL4093475 0.83 NPC1 (0.43) DHFRTYMSEGFRKDRLRRK2
SCHEMBL4093485 0.81 DHFR (0.46) DHFRTYMSEGFRKDRLRRK2
SCHEMBL4093607 0.77 DHFR (0.42) KMT2ADHFRTSHRMAPTTYMS
SCHEMBL4094689 0.76 LRRK2 (0.43) DHFRTYMSEGFRKDRLRRK2

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 14 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-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP 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
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 MEN1 4381/4885KMT2A 4127/4885DHFR 1834/4885

“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.