SCHEMBL6469667

SCHEMBL6469667

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccccc2F)c1C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.74
GNRHR P30968 1/20 0.48
MAPT P10636 2/20 0.44
PRKCZ Q05513 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL6468262 0.90 AR (0.77) ARMAPTPRKCZALDH1A1LMNA
SCHEMBL6467848 0.88 AR (0.66) ARGNRHRMAPTPRKCZALDH1A1
SCHEMBL6465282 0.86 AR (0.72) ARMAPTPRKCZALDH1A1LMNA
SCHEMBL6465329 0.85 AR (1.00) ARMAPTMEN1KMT2ALMNA
SCHEMBL6466429 0.84 AR (0.92) ARMEN1KMT2A
SCHEMBL6468233 0.84 AR (0.81) ARMAPTPRKCZALDH1A1LMNA
SCHEMBL6468328 0.83 AR (0.76) ARMAPTPRKCZMEN1KMT2A
SCHEMBL6469319 0.81 AR (0.84) ARMAPTPRKCZALDH1A1LMNA
SCHEMBL6464439 0.81 AR (0.82) ARMAPTPRKCZMEN1KMT2A
SCHEMBL6469509 0.80 AR (0.81) ARMAPTMEN1KMT2A

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 6/4885GNRHR 5/4885MAPT 4864/4885

“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.