SCHEMBL6468328

SCHEMBL6468328

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

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.76
MAPT P10636 4/20 0.55
MAPK1 P28482 1/20 0.55
PRKCZ Q05513 1/20 0.53
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6464195 0.88 AR (0.74) ARMAPTMAPK1PRKCZGAA
SCHEMBL6468255 0.86 AR (0.71) ARMAPTMAPK1PRKCZGAA
SCHEMBL6469319 0.86 AR (0.84) ARMAPTPRKCZGAARAB9A
SCHEMBL6465329 0.86 AR (1.00) ARMAPTGAAMEN1KMT2A
SCHEMBL6465259 0.86 AR (1.00) ARMAPTPRKCZGAARAB9A
SCHEMBL6464439 0.85 AR (0.82) ARMAPTPRKCZHTTMEN1
SCHEMBL6467813 0.84 AR (1.00) ARMAPTPRKCZSMN1; SMN2
SCHEMBL6466389 0.84 AR (0.81) ARMAPTPRKCZGAARAB9A
SCHEMBL6468262 0.84 AR (0.77) ARMAPTMAPK1PRKCZGAA
SCHEMBL6466429 0.84 AR (0.92) ARMEN1KMT2A

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 1 patent. 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

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.