SCHEMBL1394663

SCHEMBL1394663

COC(=O)c1cccc2c1c(C)nn2-c1ccc(C#N)c(NCC(C)(C)O)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.44
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.37
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
SCHEMBL1395173 0.91 AR (0.46) ARCYP11B2
SCHEMBL1395071 0.82 TDP1 (0.43) ARALDH1A1KDM4EHPGDCRHBP
SCHEMBL1394184 0.80 HSP90AA1 (0.50) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1394185 0.80 HSP90AA1 (0.50) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1394580 0.71 HSP90AA1 (0.51)
SCHEMBL1394581 0.71 HSP90AA1 (0.51)
SCHEMBL1395432 0.71 HSP90AA1 (0.45)
SCHEMBL1395433 0.71 HSP90AA1 (0.45)
SCHEMBL28794096 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL2184915 0.66 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10

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 486/4885ALDH1A1 2177/4885KDM4E 4500/4885

“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.