SCHEMBL1395173

SCHEMBL1395173

Cc1nn(-c2ccc(C#N)c(NCC(C)(C)O)c2)c2cccc(C(=O)O)c12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.46
TAS2R14 Q9NYV8 1/20 0.37
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 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
SCHEMBL1394663 0.91 AR (0.44) ARCYP11B2
SCHEMBL1394917 0.83 AR (0.40) ARCYP19A1CYP2C9CYP11B1CYP11B2
SCHEMBL1394580 0.79 HSP90AA1 (0.51)
SCHEMBL1394581 0.79 HSP90AA1 (0.51)
SCHEMBL418796 0.77 HSP90AA1 (0.53) AR
SCHEMBL1395071 0.72 TDP1 (0.43) ARCYP2C9
SCHEMBL1394184 0.71 HSP90AA1 (0.50)
SCHEMBL1394185 0.71 HSP90AA1 (0.50)
SCHEMBL1394983 0.69 HSP90AA1 (0.46) TAS2R14
SCHEMBL1394981 0.69 HSP90AA1 (0.46) TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 AR 486/4885TAS2R14 2082/4885HTR2A 778/4885

“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.