SCHEMBL552450

SCHEMBL552450

OB(O)c1ccc(CNCC2CC2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 2/20 0.39
TSHR P16473 1/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
EP300 Q09472 4/20 0.34
CREBBP Q92793 1/20 0.34
LTA4H P09960 1/20 0.33
CXCR4 P61073 2/20 0.33
HDAC6 Q9UBN7 1/20 0.31
PRMT5 O14744 1/20 0.31

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
SCHEMBL552680 0.92 HDAC6 (0.40) CA2HDAC6
SCHEMBL552041 0.78 TSHR (0.37) MEN1KMT2ATSHREP300
SCHEMBL552158 0.77 TSHR (0.39) TP53CYP2D6CYP2C9CYP2C19CA2
SCHEMBL552144 0.75 HRH3 (0.41) TP53TSHRCXCR4
SCHEMBL553400 0.73 TSHR (0.36) TP53TSHR
SCHEMBL552018 0.72 HRH4 (0.38) CYP2D6CYP2C19TSHR
SCHEMBL552233 0.71 HRH3 (0.45) TP53CA2TSHR
SCHEMBL552743 0.71 TSHR (0.34) TP53TSHR
SCHEMBL553209 0.71 TSHR (0.34) MEN1TP53KMT2ATSHR
SCHEMBL552107 0.71 HRH4 (0.44) MEN1CYP2D6CYP2C19KMT2ATSHR

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-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO 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 (2 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA MEN1 4042/4885TP53 2035/4885CYP3A4 1301/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA MEN1 4042/4885TP53 2035/4885CYP3A4 1301/4885

“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.