SCHEMBL6469745

SCHEMBL6469745

COC(=O)c1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccc(C#N)cc2N2CCOCC2)c1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.59
CD274 Q9NZQ7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
MOK Q9UQ07 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PRKDC P78527 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.36
TNIK Q9UKE5 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
SCHEMBL6468776 0.92 AR (0.62) ARALDH1A1MAPTSMN1; SMN2
SCHEMBL6466989 0.81 AR (0.67) ARMAPT
SCHEMBL6467820 0.81 AR (0.67) AR
SCHEMBL6465312 0.77 AR (0.89) ARMAPTSMN1; SMN2
SCHEMBL6468911 0.74 AR (1.00) ARALDH1A1MAPTSMN1; SMN2
SCHEMBL6882430 0.74 AR (0.75) ARALDH1A1MAPTSMN1; SMN2
SCHEMBL6465292 0.74 AR (0.82) ARALDH1A1MAPTSMN1; SMN2
SCHEMBL6469532 0.73 AR (0.67) AR
SCHEMBL6468792 0.73 AR (0.80) ARALDH1A1MAPTSMN1; SMN2
SCHEMBL6466721 0.73 AR (0.80) ARALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885CD274 2065/4885ALDH1A1 2144/4885

“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.