SCHEMBL6469739

SCHEMBL6469739

COC(=O)c1c(Br)c(C)n(Cc2ccc(F)cc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.52
MAPT P10636 4/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 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
SCHEMBL6466362 0.86 AR (0.69) ARMAPTPKMKDM4EGAA
SCHEMBL6464580 0.83 AR (0.65) ARMAPTPKMKDM4EGAA
SCHEMBL6467804 0.82 AR (0.50) ARMAPTPKMKDM4ETP53
SCHEMBL6466009 0.77 AR (0.83) ARMAPTPKMGAAALDH1A1
SCHEMBL6466721 0.75 AR (0.80) ARMAPTPKMKDM4ETP53
SCHEMBL6469416 0.74 MAPT (0.51) MAPTPKMKDM4ETP53GAA
SCHEMBL6469593 0.72 MAPT (0.43) MAPTPKMKDM4ETP53GAA
SCHEMBL14376101 0.72 MAPT (0.55) MAPTPKMKDM4EGAAALDH1A1
SCHEMBL17684848 0.71 MAPT (0.46) MAPTKDM4ETP53ALDH1A1SMN1; SMN2
SCHEMBL17684442 0.70 MAPT (0.53) MAPTKDM4ETP53GAAALDH1A1

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 4864/4885PKM 3131/4885

“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.