SCHEMBL6466727

SCHEMBL6466727

Cc1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.60
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
GRIA2 P42262 3/20 0.45
GRIA4 P48058 3/20 0.45
RIPK3 Q9Y572 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
NSD2 O96028 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
SLC2A1 P11166 1/20 0.41
SLC2A3 P11169 1/20 0.41
SLC2A4 P14672 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL6466939 0.94 AR (0.67) ARMAPTGRIA2GRIA4LMNA
SCHEMBL6464447 0.87 AR (0.53) ARHTTALDH1A1MITFMAPT
SCHEMBL6466315 0.83 AR (0.59) ARHTTALDH1A1MITFMAPT
SCHEMBL7052030 0.83 AR (0.45) ARALDH1A1MAPTKDM4EPTGDR2
SCHEMBL6466328 0.81 AR (0.57) ARHTTALDH1A1MITFMAPT
SCHEMBL6469613 0.81 AR (0.57) ARMAPTGRIA2GRIA4CYP11B1
SCHEMBL6889348 0.79 AR (0.51) ARHTTALDH1A1MITFMAPT
SCHEMBL6469698 0.78 AR (0.61) ARMAPTKDM4ELMNAPTGDR2
SCHEMBL6466721 0.78 AR (0.80) ARHTTALDH1A1MITFMAPT
SCHEMBL6889022 0.77 AR (0.68) ARCYP11B1CYP11B2HSD17B10PTGDR2

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 AR 6/4885HTT 3428/4885ALDH1A1 2144/4885

“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.