SCHEMBL6860751

SCHEMBL6860751

O=C(O)CCCNc1cccc[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
CDC25A P30304 2/20 0.43
CDC25B P30305 2/20 0.43
ATM Q13315 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL7711293 0.90 SLC2A1 (0.49) SLC2A1CDC25ACDC25BLMNAHPGD
SCHEMBL852975 0.80 POLB (0.40) CDC25ALMNAHPGDGAAHTT
SCHEMBL3217738 0.79 MAPT (0.42) CDC25ALMNAHPGDGAAHTT
SCHEMBL6177680 0.78 KCNH3 (0.42) CDC25ALMNAHPGDGAAHTT
SCHEMBL4638849 0.77 LMNA (0.34) LMNAHTTALDH1A1KDM4EMAPT
SCHEMBL14182015 0.77 NPSR1 (0.38) ATMLMNAHTTALDH1A1MAPK1
SCHEMBL1441268 0.76 KCNH3 (0.41) SLC2A1LMNAALDH1A1SMN1; SMN2MAPT
Bromide SCHEMBL4638146 0.76 LMNA (0.33) LMNAHTTALDH1A1KDM4EMAPT
SCHEMBL6947506 0.75 CA12 (0.47) SLC2A1ALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL6951347 0.73 CA12 (0.38) LMNAHTTALDH1A1KDM4EHSD17B10

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 SLC2A1 1375/4885CDC25A 3167/4885CDC25B 3992/4885

“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.