SCHEMBL6599752

SCHEMBL6599752

COc1cc(NCC(CN(CC(CNc2cc(OC)c3ccccc3n2)c2ccccc2)C(=O)OC(C)(C)C)c2ccccc2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.56
BACE1 P56817 3/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
P2RY12 Q9H244 3/20 0.36
PDE10A Q9Y233 1/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA1 P30542 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
TACR3 P29371 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL6594249 0.85 SLC2A1 (0.58) SLC2A1ALOX15MEN1KMT2AP2RY12
SCHEMBL6606773 0.73 SLC2A1 (0.71) SLC2A1ALOX15MEN1KMT2AP2RY12
SCHEMBL5667848 0.72 SLC2A1 (0.54) SLC2A1ALOX15MEN1KMT2ANPC1
SCHEMBL6606672 0.72 SLC2A1 (0.70) SLC2A1ALOX15MEN1KMT2AP2RY12
SCHEMBL5670836 0.69 SLC2A1 (0.50) SLC2A1ALOX15MEN1KMT2AP2RY12
SCHEMBL6607801 0.69 SLC2A1 (0.64) SLC2A1ALOX15P2RY12PDE10AMAPT
SCHEMBL6607969 0.68 SLC2A1 (0.57) SLC2A1ALOX15MEN1KMT2A
SCHEMBL7805323 0.67 SLC2A1 (0.69) SLC2A1ALOX15MEN1KMT2APDE10A
SCHEMBL6607938 0.67 SLC2A1 (0.62) SLC2A1ALOX15P2RY12PDE10AGAA
SCHEMBL6619693 0.67 SLC2A1 (0.61) SLC2A1ALOX15MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1351687-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-15 EP 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 (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-20040053963-A1 Urotensin-II receptor antagonists UTS2R, NTSR2, TMPRSS2 SLC2A1 2614/4885BACE1 3174/4885ALOX15 3428/4885

“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.