SCHEMBL6469563

SCHEMBL6469563

COCc1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccccc2)c1C

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.75
PLA2G2A P14555 1/20 0.46
F2RL3 Q96RI0 1/20 0.44
CFTR P13569 1/20 0.44
LMNA P02545 1/20 0.43
PTGDR2 Q9Y5Y4 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
SCHEMBL6469421 0.86 AR (1.00) ARPLA2G2ACFTRLMNAPTGDR2
SCHEMBL6469575 0.80 AR (1.00) ARPLA2G2ALMNA
SCHEMBL6469722 0.79 AR (1.00) ARPLA2G2ACFTRLMNA
SCHEMBL6466355 0.78 AR (1.00) ARPLA2G2ALMNA
SCHEMBL6469638 0.77 AR (0.83) ARPLA2G2ACFTRLMNA
SCHEMBL6466958 0.77 AR (0.68) ARPLA2G2ACFTRLMNA
SCHEMBL6465329 0.76 AR (1.00) ARLMNA
SCHEMBL6887430 0.75 AR (0.67) AR
SCHEMBL6469582 0.75 AR (0.79) ARPLA2G2ACFTRLMNA
SCHEMBL6466983 0.75 AR (0.79) ARPLA2G2ACFTRLMNA

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 6/4885PLA2G2A 2489/4885F2RL3 831/4885

“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.