SCHEMBL4085468

SCHEMBL4085468

N#Cc1ccc(CO)c(CCO)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL1363872 0.79 AR (0.39) ARTRPV4
SCHEMBL3274945 0.75 AR (0.49) AR
SCHEMBL2732062 0.72 KCNJ1 (0.43) ARTRPV4
SCHEMBL3333067 0.71 AR (0.41) ARTRPV4
SCHEMBL13151170 0.71 AR (0.36) AR
SCHEMBL16953236 0.71 XDH (0.43) AR
SCHEMBL13151114 0.69 SMN1; SMN2 (0.36) AR
SCHEMBL286386 0.69 AR (0.33) ARHTR2AHTR2CKDM4E
SCHEMBL2731024 0.68 TRPV4 (0.48) ARKDM4ETRPV4
SCHEMBL2724571 0.68 CYP19A1 (0.48) AR

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
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-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
CN-101495460-A HSP90 inhibitor CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-07-29 CN 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 AR 1589/4885HTR2A 3407/4885HTR2C 3348/4885

“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.