SCHEMBL6468792

SCHEMBL6468792

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

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.80
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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 0.94 AR (0.89) ARMAPTCYP11B1CYP11B2MEN1
SCHEMBL6465292 0.90 AR (0.82) ARMAPTCYP11B1CYP11B2ALDH1A1
SCHEMBL6466721 0.89 AR (0.80) ARMAPTCYP11B1CYP11B2MEN1
SCHEMBL6468911 0.89 AR (1.00) ARMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL6469732 0.88 AR (0.82) ARMAPTPOLBCYP11B1CYP11B2
SCHEMBL6469313 0.87 AR (0.77) ARMAPTCYP11B1CYP11B2KDM4E
SCHEMBL6468830 0.87 AR (0.80) ARCYP11B1CYP11B2MEN1KMT2A
SCHEMBL6469628 0.86 AR (0.76) ARMAPTPOLBCYP11B1CYP11B2
SCHEMBL6469536 0.85 AR (0.74) ARMAPTCYP11B1CYP11B2KDM4E
SCHEMBL6469782 0.85 AR (0.74) ARMAPTCYP11B1CYP11B2ALDH1A1

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 6/4885GRIN1 468/4885GRIN2B 389/4885

“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.