SCHEMBL6466856

SCHEMBL6466856

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 1.00
NOD2 Q9HC29 1/20 0.57
NOD1 Q9Y239 1/20 0.57
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
PRKCZ Q05513 1/20 0.46
MAPT P10636 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6469619 0.86 AR (0.75) ARNOD2NOD1RAB9APRKCZ
SCHEMBL6889331 0.80 AR (0.67) ARNOD2NOD1HPGDRAB9A
SCHEMBL6469491 0.79 AR (1.00) ARRAB9APRKCZMAPT
SCHEMBL6465329 0.79 AR (1.00) ARMAPTMEN1KMT2AKDM4E
SCHEMBL6465259 0.79 AR (1.00) ARRAB9APRKCZMAPT
SCHEMBL6468328 0.78 AR (0.76) ARRAB9APRKCZMAPTMEN1
SCHEMBL6466429 0.77 AR (0.92) ARMEN1KMT2A
SCHEMBL6467813 0.77 AR (1.00) ARPRKCZMAPT
SCHEMBL6468354 0.76 AR (0.78) ARPRKCZMAPT
SCHEMBL6468262 0.75 AR (0.77) ARPRKCZMAPT

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 6/4885NOD2 2383/4885NOD1 4025/4885

“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.