SCHEMBL6464376

SCHEMBL6464376

Cc1[nH]c(C)c(-c2ccc(C#N)cc2)c1C(=O)OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 6/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.48
MEN1 O00255 5/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
AR P10275 2/20 0.43
KDM4E B2RXH2 2/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6465908 0.85 ALDH1A1 (0.71) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL6466270 0.83 AR (0.63) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL5361685 0.82 KMT2A (0.51) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL4918939 0.80 KMT2A (0.48) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL24411089 0.79 KMT2A (0.47) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL6467825 0.79 KMT2A (0.47) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL6469507 0.77 KMT2A (0.52) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL5359751 0.77 LMNA (0.52) KMT2AALDH1A1POLBLMNAMEN1
SCHEMBL6469348 0.75 FNTA (0.43) KMT2AALDH1A1POLBLMNAMAPT
SCHEMBL6466372 0.74 MAP2 (0.42) KMT2AALDH1A1POLBMAPTGAA

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 KMT2A 2015/4885ALDH1A1 2144/4885POLB 3507/4885

“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.