SCHEMBL4092520

SCHEMBL4092520

N#Cc1ccc2c(c1Cl)CCOC2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 5/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
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
SCHEMBL19835753 0.78 HTR2A (0.48) HTR2AHTR2CHTR2B
SCHEMBL22280802 0.75 TRPA1 (0.37) HSD11B1MAPK1
SCHEMBL4086101 0.69 SMN1; SMN2 (0.39) HSD11B1SMN1; SMN2MAPK1KCNJ1KCNH2
SCHEMBL4085555 0.69
SCHEMBL10733139 0.67 AR (0.50) HTR2AHTR2CHTR2BSMN1; SMN2AR
SCHEMBL31621318 0.67 AR (0.50) HTR2AHTR2CHTR2BSMN1; SMN2AR
SCHEMBL19835774 0.67 ADRA2A (0.47) HSD11B1
SCHEMBL29758963 0.67 KCNJ1 (0.43) HTR2AHTR2CHTR2BARKCNJ1
SCHEMBL30711985 0.67 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1
SCHEMBL17008842 0.67 KCNJ1 (0.43) HTR2AHTR2CHTR2BARKCNJ1

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 HTR2A 3407/4885HTR2C 3348/4885HTR2B 3489/4885

“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.