SCHEMBL6469491

SCHEMBL6469491

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(C(=O)c2ccccc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 1.00
ELANE P08246 1/20 0.50
MAPT P10636 3/20 0.47
PRKCZ Q05513 1/20 0.47
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6466429 0.81 AR (0.92) AR
SCHEMBL6465329 0.80 AR (1.00) ARMAPTGAA
SCHEMBL6465259 0.80 AR (1.00) ARMAPTPRKCZTSHRTP53
SCHEMBL6468328 0.79 AR (0.76) ARMAPTPRKCZTP53GAA
SCHEMBL6466856 0.79 AR (1.00) ARMAPTPRKCZRAB9A
SCHEMBL6467813 0.79 AR (1.00) ARMAPTPRKCZTSHR
SCHEMBL6468262 0.77 AR (0.77) ARMAPTPRKCZGAAMAPK1
SCHEMBL6469619 0.76 AR (0.75) ARMAPTPRKCZGAARAB9A
SCHEMBL6464195 0.76 AR (0.74) ARMAPTPRKCZTP53GAA
SCHEMBL6469667 0.75 AR (0.74) ARMAPTPRKCZGAA

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 6/4885ELANE 2526/4885MAPT 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.