SCHEMBL2648894

SCHEMBL2648894

FC(F)(F)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 1.00
VCP P55072 3/20 0.73
ESR1 P03372 1/20 0.72
MAPT P10636 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
DEGS1 O15121 1/20 0.69
MAP4K4 O95819 1/20 0.69
CYP3A4 P08684 1/20 0.69
AMY1A P0DUB6 1/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
MAPKAPK2 P49137 1/20 0.69
PIM3 Q86V86 1/20 0.69
MINK1 Q8N4C8 1/20 0.69
SPHK2 Q9NRA0 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
SPHK1 Q9NYA1 1/20 0.69
KDM4E B2RXH2 1/20 0.65

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
SCHEMBL7246864 0.88 ALOX5 (0.79) ALOX5VCPESR1MAPTMEN1
SCHEMBL31126428 0.88 ALOX5 (0.78) ALOX5VCPESR1MAPTMEN1
SCHEMBL1888054 0.87 ALOX5 (0.78) ALOX5VCPESR1MAPTMEN1
SCHEMBL23610351 0.86 ALOX5 (0.76) ALOX5VCPESR1MAPTMEN1
SCHEMBL1822809 0.86 ALOX5 (0.76) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL7112167 0.86 ALOX5 (0.75) ALOX5VCPESR1MAPTMEN1
SCHEMBL23539595 0.85 ALOX5 (0.73) ALOX5VCPESR1MAPTMEN1
SCHEMBL23553570 0.85 VCP (1.00) ALOX5VCPMAPTMEN1KMT2A
SCHEMBL1887335 0.84 ESR1 (1.00) ALOX5VCPESR1MAPTMEN1
SCHEMBL12157973 0.84 ALOX5 (0.73) ALOX5VCPESR1MAPTMEN1

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
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
US-20050256175-A1 Novel glucagon antagonists/inverse agonists LAU JESPER 2005-11-17 US disclosed
US-6881746-B2 Glucagon antagonists/inverse agonists NOVO NORDICK A/S (DK) 2005-04-19 US disclosed
EP-1519723-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-04-06 EP disclosed
US-20040014789-A1 Novel glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2004-01-22 US disclosed
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 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-20040014789-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR ALOX5 4481/4885VCP 1768/4885ESR1 594/4885
US-20050256175-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR ALOX5 4481/4885VCP 1768/4885ESR1 594/4885

“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.