SCHEMBL6464539

SCHEMBL6464539

CCOC(=O)c1c(-c2ccccc2)[nH]c(C)c1-c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
MDM2 Q00987 4/20 0.52
LMNA P02545 5/20 0.49
MAPT P10636 5/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AR P10275 2/20 0.48
MEN1 O00255 2/20 0.47
MAPK10 P53779 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP2 O95551 1/20 0.46

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
SCHEMBL6466270 0.86 AR (0.63) ALDH1A1NPSR1HTTRXFP1MDM2
SCHEMBL5359751 0.80 LMNA (0.52) ALDH1A1NPSR1HTTRXFP1LMNA
SCHEMBL10313589 0.80 ALDH1A1 (0.48) ALDH1A1NPSR1HTTRXFP1MDM2
SCHEMBL5360596 0.80 AR (0.47) ALDH1A1NPSR1HTTRXFP1LMNA
SCHEMBL31567905 0.79 ALDH1A1 (0.62) ALDH1A1NPSR1HTTRXFP1MDM2
SCHEMBL31567904 0.79 ALDH1A1 (0.62) ALDH1A1NPSR1HTTRXFP1MDM2
SCHEMBL31567903 0.79 LMNA (0.72) ALDH1A1NPSR1HTTRXFP1MDM2
SCHEMBL31567898 0.79 LMNA (0.72) ALDH1A1NPSR1HTTRXFP1MDM2
SCHEMBL5361928 0.79 AR (0.49) ALDH1A1NPSR1HTTRXFP1LMNA
SCHEMBL30741085 0.78 GCGR (0.57) ALDH1A1NPSR1HTTRXFP1MDM2

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 2 patents. 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
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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 ALDH1A1 2144/4885NPSR1 13/4885HTT 3428/4885

“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.