SCHEMBL6469619

SCHEMBL6469619

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.75
MAPT P10636 3/20 0.50
PRKCZ Q05513 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
RAB9A P51151 1/20 0.46
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

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
SCHEMBL6466856 0.86 AR (1.00) ARMAPTPRKCZMEN1KMT2A
SCHEMBL6465259 0.83 AR (1.00) ARMAPTPRKCZGAARAB9A
SCHEMBL6468328 0.82 AR (0.76) ARMAPTPRKCZMEN1KMT2A
SCHEMBL6468354 0.80 AR (0.78) ARMAPTPRKCZHTT
SCHEMBL6464195 0.78 AR (0.74) ARMAPTPRKCZGAARAB9A
SCHEMBL2903730 0.77 AR (1.00) ARMAPTPRKCZMEN1KMT2A
SCHEMBL6469491 0.76 AR (1.00) ARMAPTPRKCZGAARAB9A
SCHEMBL6465329 0.76 AR (1.00) ARMAPTMEN1KMT2AGAA
SCHEMBL6469319 0.76 AR (0.84) ARMAPTPRKCZGAAHTT
SCHEMBL6468255 0.76 AR (0.71) ARMAPTPRKCZGAARAB9A

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 4864/4885PRKCZ 3138/4885

“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.