SCHEMBL6465292

SCHEMBL6465292

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

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.82
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6465312 0.95 AR (0.89) ARMAPTCYP11B1CYP11B2LMNA
SCHEMBL6466721 0.90 AR (0.80) ARMAPTALDH1A1PKMCYP11B1
SCHEMBL6468792 0.90 AR (0.80) ARMAPTALDH1A1CYP11B1CYP11B2
SCHEMBL6468911 0.90 AR (1.00) ARMAPTGAAALDH1A1PKM
SCHEMBL6469732 0.89 AR (0.82) ARMAPTGAAALDH1A1CYP11B1
SCHEMBL6469313 0.88 AR (0.77) ARMAPTCYP11B1CYP11B2HSP90AA1
SCHEMBL6468830 0.88 AR (0.80) ARCYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL6466964 0.87 AR (0.66) ARLMNATSHRSMN1; SMN2
SCHEMBL6469628 0.87 AR (0.76) ARMAPTCYP11B1CYP11B2LMNA
SCHEMBL6469536 0.86 AR (0.74) ARMAPTCYP11B1CYP11B2HSP90AA1

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 6/4885MAPT 4864/4885GAA 4752/4885

“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.