SCHEMBL6606672

SCHEMBL6606672

COc1cc(NCC(C)C(N)=O)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.70
ALOX15 P16050 1/20 0.50
ACHE P22303 5/20 0.43
APP P05067 3/20 0.43
P2RY12 Q9H244 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PDE10A Q9Y233 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DHODH Q02127 1/20 0.41

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
SCHEMBL6606773 0.89 SLC2A1 (0.71) SLC2A1ALOX15P2RY12SMN1; SMN2POLB
SCHEMBL6607801 0.84 SLC2A1 (0.64) SLC2A1ALOX15ACHEAPPP2RY12
SCHEMBL6607938 0.81 SLC2A1 (0.62) SLC2A1ALOX15ACHEAPPP2RY12
SCHEMBL7805323 0.78 SLC2A1 (0.69) SLC2A1ALOX15APPSMN1; SMN2POLB
SCHEMBL6622619 0.78 SLC2A1 (0.65) SLC2A1ALOX15ACHEAPPP2RY12
SCHEMBL7805470 0.75 SLC2A1 (0.65) SLC2A1ALOX15ACHEAPPP2RY12
SCHEMBL6607445 0.74 SLC2A1 (0.54) SLC2A1ALOX15ACHEAPPP2RY12
SCHEMBL13036676 0.74 ALOX15 (0.60) SLC2A1ALOX15ACHEAPPSMN1; SMN2
SCHEMBL6607915 0.74 SLC2A1 (0.62) SLC2A1ALOX15APPSMN1; SMN2POLB
SCHEMBL6594249 0.73 SLC2A1 (0.58) SLC2A1ALOX15P2RY12POLBPDE10A

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 5 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
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP disclosed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 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-20040063757-A1 Urotensin-ll receptor antagonists UTS2R, PLAUR, SCTR SLC2A1 3284/4885ALOX15 2175/4885ACHE 1244/4885

“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.