SCHEMBL5655810

SCHEMBL5655810

O=C([C@@H](O)CO)N1CC=C(c2ccc(C3=NOC(CNc4ccon4)C3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 10/20 0.35
HDAC6 Q9UBN7 1/20 0.35
F10 P00742 2/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
RAB9A P51151 1/20 0.33
NAMPT P43490 4/20 0.32
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL5655803 1.00 MIF (0.35) MIFHDAC6F10ITGB3ITGA2B
SCHEMBL5655313 0.88 MIF (0.37) MIFHDAC6ITGB3ITGA2BRAB9A
SCHEMBL5834526 0.81 MAOA (0.45) F10ITGB3ITGA2B
SCHEMBL5655795 0.77 MIF (0.33) MIFHDAC6F10ITGB3ITGA2B
SCHEMBL14344986 0.75 MIF (0.34) MIFHDAC6NAMPT
SCHEMBL5834248 0.74 MAOA (0.49) F10
SCHEMBL5833366 0.72 MAOA (0.57) F10
SCHEMBL5945090 0.72 CYP2E1 (0.55) F10
Hydrochloric Acid SCHEMBL5655923 0.72 HTR2C (0.37) MIFHDAC6RAB9A
Hydrochloric Acid SCHEMBL5655920 0.72 HTR2C (0.37) MIFHDAC6RAB9A

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-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 MIF 4704/4885HDAC6 504/4885F10 558/4885

“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.