SCHEMBL6469467

SCHEMBL6469467

Cc1c[nH]c(C(=O)OC(C)(C)C)c1-c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
GPR119 Q8TDV5 2/20 0.36
AR P10275 2/20 0.36
KIF11 P52732 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
MAPT P10636 1/20 0.34
MAP2 P11137 1/20 0.34

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
SCHEMBL4914072 0.80 KDM1A (0.38) GPR119ARKIF11FNTAFNTB
SCHEMBL5361685 0.75 KMT2A (0.51) GPR119ARKIF11FNTAFNTB
SCHEMBL4919275 0.74 HTT (0.49) GPR119KIF11EGLN2ALDH1A1GABRA1
SCHEMBL4918581 0.73 KMT2A (0.40) GPR119ARKIF11FNTAFNTB
SCHEMBL5362690 0.73 AR (0.49) GPR119ARFNTAFNTBEGLN2
SCHEMBL4913965 0.72 KMT2A (0.39) GPR119ARKIF11FNTAFNTB
SCHEMBL2671976 0.71 CA1 (0.50) GPR119ALDH1A1GABRA1GABRG2GABRB3
SCHEMBL4196034 0.71 IGF1R (0.53) GPR119ARFNTAFNTBALDH1A1
SCHEMBL4920883 0.71 KMT2A (0.38) GPR119ARKIF11FNTAFNTB
SCHEMBL5351989 0.71 ALDH1A1 (0.43) ARFNTAFNTBALDH1A1LMNA

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 TP53 775/4885GPR119 102/4885AR 6/4885

“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.