SCHEMBL6594249

SCHEMBL6594249

COc1cc(NCC(CNC(=O)OC(C)(C)C)c2ccccc2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ACACB O00763 5/20 0.41
ACACA Q13085 3/20 0.41
PCSK9 Q8NBP7 1/20 0.41
BCHE P06276 1/20 0.39
P2RY12 Q9H244 1/20 0.39
POLB P06746 1/20 0.38
TACR3 P29371 1/20 0.38
PDE10A Q9Y233 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL6599752 0.85 SLC2A1 (0.56) SLC2A1ALOX15MEN1KMT2ANPC1
SCHEMBL5667848 0.82 SLC2A1 (0.54) SLC2A1ALOX15MEN1KMT2ANPC1
SCHEMBL5670836 0.75 SLC2A1 (0.50) SLC2A1ALOX15MEN1KMT2ANPC1
SCHEMBL6606773 0.74 SLC2A1 (0.71) SLC2A1ALOX15MEN1KMT2AP2RY12
SCHEMBL6606672 0.73 SLC2A1 (0.70) SLC2A1ALOX15MEN1KMT2AGAA
SCHEMBL16897058 0.73 CTSK (0.49) SYK
SCHEMBL5742834 0.72 CTSK (0.50) MEN1KMT2AGAASYK
SCHEMBL6607969 0.71 SLC2A1 (0.57) SLC2A1ALOX15MEN1KMT2A
SCHEMBL20773522 0.71 SYK (0.47) GAASYK
SCHEMBL4583612 0.71 MAPT (0.54) KMT2AGAASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818655-B2 2-AMINOQUINOLINES; CARDIOVASCULAR, GASTROINTESTINAL, PYSCHOLOGICAL, RESPIRATORY AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP disclosed
US-20040063757-A1 Urotensin-ll receptor antagonists SMITHKLINEE BEECHAM CORPORATION 2004-04-01 US disclosed
US-20040053963-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
EP-1351687-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP disclosed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP disclosed
EP-1351687-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-15 EP disclosed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 WO disclosed
WO-2002047456-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-20 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-20040063757-A1 Urotensin-ll receptor antagonists UTS2R, PLAUR, SCTR SLC2A1 3284/4885ALOX15 2175/4885MEN1 3428/4885
US-20040053963-A1 Urotensin-II receptor antagonists UTS2R, NTSR2, TMPRSS2 SLC2A1 2614/4885ALOX15 3428/4885MEN1 3135/4885

“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.