SCHEMBL6468358

SCHEMBL6468358

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(CC2CCCCC2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 1.00
MAPT P10636 3/20 0.45
CACNB4 O00305 1/20 0.45
CACNA1A O00555 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNG3 O60359 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNB3 P54284 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNG7 P62955 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNG1 Q06432 1/20 0.45
CACNB2 Q08289 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
CACNA1E Q15878 1/20 0.45
CACNA2D4 Q7Z3S7 1/20 0.45

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
SCHEMBL6468328 0.84 AR (0.76) ARMAPTPRKCZMAPK1SMN1; SMN2
SCHEMBL6464195 0.80 AR (0.74) ARMAPTPRKCZMAPK1
SCHEMBL6469768 0.78 AR (0.64) ARMAPTCACNB4CACNA1ACACNA1G
SCHEMBL6465329 0.78 AR (1.00) ARMAPTPOLBSMN1; SMN2
SCHEMBL6468255 0.78 AR (0.71) ARMAPTPRKCZMAPK1
SCHEMBL6469319 0.78 AR (0.84) ARMAPTPRKCZALDH1A1
SCHEMBL6465259 0.78 AR (1.00) ARMAPTPRKCZALDH1A1
SCHEMBL6464439 0.77 AR (0.82) ARMAPTPRKCZALDH1A1SMN1; SMN2
SCHEMBL6466389 0.76 AR (0.81) ARMAPTPRKCZPOLB
SCHEMBL6468262 0.76 AR (0.77) ARMAPTPRKCZMAPK1ALDH1A1

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 4864/4885CACNB4 4092/4885

“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.