SCHEMBL4594538

SCHEMBL4594538

CCCCC(C(=O)N(C)C)N(Cc1ccco1)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.52
PGR P06401 2/20 0.52
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RIPK1 Q13546 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4594539 1.00 AR (0.52) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4594828 0.91 AR (0.56) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4594534 0.86 AR (0.68) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4594537 0.86 AR (0.68) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4901392 0.84 AR (0.71) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4907347 0.84 AR (0.71) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4596249 0.83 PGR (0.58) ARPGR
SCHEMBL4595579 0.83 PGR (0.58) ARPGR
SCHEMBL4895835 0.83 AR (0.61) ARPGRUBE2MDCUN1D1S1PR1
SCHEMBL4895838 0.83 AR (0.61) ARPGRUBE2MDCUN1D1S1PR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US claimed
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP claimed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 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-20080194536-A1 Cyanoarylamines EDNRA, CYP19A1, HSD17B11 AR 84/4885PGR 64/4885UBE2M 1170/4885

“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.