SCHEMBL5654348

SCHEMBL5654348

Fc1cc(C2=NOC(CNc3ccon3)C2)ccc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
RAB9A P51151 1/20 0.41
KDR P35968 1/20 0.41
SYK P43405 1/20 0.41
MIF P14174 5/20 0.40
CYP2E1 P05181 1/20 0.39
MAOA P21397 2/20 0.36
HTT P42858 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAOB P27338 3/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
CALML3 P27482 1/20 0.36
SDHA P31040 1/20 0.36

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
SCHEMBL5654353 1.00 PDE3B (0.42) PDE3BPDE3ARAB9AKDRSYK
SCHEMBL5654102 0.90 MIF (0.39) PDE3BPDE3AKDRSYKMIF
SCHEMBL5654108 0.90 MIF (0.39) PDE3BPDE3AKDRSYKMIF
SCHEMBL5654967 0.90 MIF (0.39) MIFCYP2E1MAOAMAOB
SCHEMBL5654974 0.90 MIF (0.39) MIFCYP2E1MAOAMAOB
SCHEMBL5656000 0.88 MIF (0.40) PDE3BPDE3AMIFCYP2E1MAOA
SCHEMBL5655616 0.88 MIF (0.38) PDE3BPDE3ARAB9AMIFCYP2E1
SCHEMBL5656862 0.88 MIF (0.38) PDE3BPDE3ARAB9AMIFCYP2E1
SCHEMBL5655995 0.88 MIF (0.40) PDE3BPDE3AMIFCYP2E1MAOA
SCHEMBL5656828 0.86 KDR (0.45) KDRSYKMIFCYP2E1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP claimed
EP-1242416-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2002-09-25 EP claimed
WO-2001040222-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2001-06-07 WO claimed
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 US disclosed
US-7081538-B1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-07-25 US disclosed
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP disclosed
EP-1242416-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001040222-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2001-06-07 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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents CYP2S1, CYP3A7, CYP3A5 PDE3B 1308/4885PDE3A 1613/4885RAB9A 748/4885

“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.