SCHEMBL13029941

SCHEMBL13029941

[C-]#[N+]c1ccc(N(CC(=O)Nc2ccc(F)cc2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 3/20 0.36
MAPK1 P28482 1/20 0.36
AR P10275 3/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL13029943 0.90 SMN1; SMN2 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13029887 0.90 ALDH1A1 (0.46) KMT2ALMNAMEN1MAPTHTT
SCHEMBL13029934 0.90 MAPT (0.41) KMT2ALMNAMEN1MAPTHTT
SCHEMBL13029898 0.88 RORC (0.40) KMT2ALMNAMEN1MAPTHTT
SCHEMBL13029931 0.86 PSMB5 (0.39) KMT2ALMNAMEN1MAPTHTT
SCHEMBL13029909 0.85 CNR2 (0.39) KMT2ALMNAMEN1MAPTHTT
SCHEMBL13070688 0.82 AR (0.56) AR
SCHEMBL13029936 0.81 AR (0.39) AR
SCHEMBL13029951 0.81 AR (0.37) KMT2ALMNAMEN1MAPTHTT
SCHEMBL13029724 0.80 AR (0.45) MAPTNPSR1KDM4EGAAAR

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-7834063-B2 4-[(Cyclopropylmethyl)(2-{[4-(1,1-dimethylethyl)phenyl]oxy}ethyl)amino]-2-(trifluoromethyl)benzonitrile; modulators of androgen, glucocorticoid, mineralocorticoid, and progesterone receptors; osteoporosis, muscle wasting,endometriosis, cardiovascular disease; breast, uterine cancer, prostatic hyperplasia GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-20080255124-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 US 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-20080255124-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 KMT2A 2013/4885LMNA 4180/4885MEN1 356/4885

“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.