SCHEMBL6464084

SCHEMBL6464084

COC(=O)c1c(C)[nH]c(C)c1-c1cccc(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
ALDH1A1 P00352 6/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
POLB P06746 2/20 0.57
HTT P42858 4/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.49
PIN1 Q13526 1/20 0.48
KDM4E B2RXH2 1/20 0.44
CNR2 P34972 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LRRK2 Q5S007 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
NR4A2 P43354 1/20 0.42

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 0.84 ALDH1A1 (0.71) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL6468403 0.80 LMNA (0.69) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL7076894 0.77 F11 (0.51) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL6468908 0.76 LMNA (0.94) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL17461872 0.76 CNR2 (0.46) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL6466705 0.76 KMT2A (1.00) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL6466194 0.75 AR (0.59) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL4918458 0.75 PIN1 (0.47) ALDH1A1PIN1CNR2LRRK2FNTA
SCHEMBL6465912 0.75 CNR2 (0.50) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL6469625 0.75 LMNA (0.69) LMNAALDH1A1KMT2AMEN1POLB

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 LMNA 4715/4885ALDH1A1 2144/4885KMT2A 2015/4885

“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.