SCHEMBL6465282

SCHEMBL6465282

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2cccc3ccccc23)c1C

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.72
MAPT P10636 4/20 0.44
MAPK1 P28482 1/20 0.44
PRKCZ Q05513 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 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
SCHEMBL6468262 0.88 AR (0.77) ARMAPTMAPK1PRKCZLMNA
SCHEMBL6469667 0.86 AR (0.74) ARMAPTPRKCZLMNAALDH1A1
SCHEMBL6465329 0.84 AR (1.00) ARMAPTLMNASMN1; SMN2GAA
SCHEMBL6466429 0.82 AR (0.92) AR
SCHEMBL6468328 0.81 AR (0.76) ARMAPTMAPK1PRKCZSMN1; SMN2
SCHEMBL6469509 0.80 AR (0.81) ARMAPTMAPK1
SCHEMBL6469319 0.80 AR (0.84) ARMAPTPRKCZLMNAALDH1A1
SCHEMBL6464439 0.79 AR (0.82) ARMAPTPRKCZLMNASMN1; SMN2
SCHEMBL6467848 0.79 AR (0.66) ARMAPTMAPK1PRKCZALDH1A1
SCHEMBL6467813 0.78 AR (1.00) ARMAPTPRKCZSMN1; SMN2

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 4864/4885MAPK1 3449/4885

“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.