SCHEMBL6469319

SCHEMBL6469319

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccc(C)cc2)c1C

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.84
MAPT P10636 3/20 0.56
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PRKCZ Q05513 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6464439 0.93 AR (0.82) ARMAPTLMNANPSR1ALDH1A1
SCHEMBL6466429 0.92 AR (0.92) AR
SCHEMBL6468233 0.92 AR (0.81) ARMAPTLMNANPSR1ALDH1A1
SCHEMBL6465329 0.91 AR (1.00) ARMAPTLMNAGAA
SCHEMBL6466415 0.91 AR (0.79) ARMAPTGAA
SCHEMBL6468354 0.90 AR (0.78) ARMAPTLMNANPSR1ALDH1A1
SCHEMBL6530921 0.90 AR (0.78) ARMAPTHTTGAA
SCHEMBL6466389 0.89 AR (0.81) ARMAPTLMNAPRKCZGAA
SCHEMBL6465153 0.89 AR (0.76) ARMAPTLMNA
SCHEMBL6464892 0.89 AR (0.76) ARMAPTLMNAPRKCZ

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 4864/4885LMNA 4715/4885

“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.