SCHEMBL6464853

SCHEMBL6464853

COC(=O)c1c(-c2cccc([N+](=O)[O-])c2)c(C)n(Cc2ccccc2)c1C

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.79
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GAA P10253 3/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
PLA2G2A P14555 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
PGR P06401 1/20 0.47
CCR2 P41597 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CFTR P13569 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
SCHEMBL6469575 0.88 AR (1.00) ARALDH1A1MEN1KMT2AGAA
SCHEMBL6469335 0.85 AR (0.74) ARALDH1A1GAAMAPTPKM
SCHEMBL6466411 0.80 AR (0.78) ARALDH1A1GAAMAPTPKM
SCHEMBL6469603 0.80 AR (0.81) ARALDH1A1GAAMAPTPKM
SCHEMBL6469535 0.79 AR (0.76) ARALDH1A1MEN1KMT2AGAA
SCHEMBL6465329 0.79 AR (1.00) ARMEN1KMT2AGAAMAPT
SCHEMBL6466429 0.77 AR (0.92) ARMEN1KMT2A
SCHEMBL6466205 0.77 AR (0.79) ARMEN1KMT2AMAPTPLA2G2A
SCHEMBL6466009 0.77 AR (0.83) ARALDH1A1GAAMAPTPKM
SCHEMBL6469722 0.77 AR (1.00) ARKMT2AMAPTPLA2G2ALMNA

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 6/4885ALDH1A1 2144/4885MEN1 2050/4885

“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.