SCHEMBL570426

SCHEMBL570426

O=CC1CCN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ FFAR1 O14842 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MBTD1 Q05BQ5 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL27707889 0.89 HRH3 (0.48) FFAR1HRH3
SCHEMBL23064587 0.89 FFAR1 (0.46) FFAR1KMT2AMBTD1L3MBTL3L3MBTL1
SCHEMBL27969751 0.87 FFAR1 (0.41) USP30FFAR1KMT2AMBTD1L3MBTL3
Benzene SCHEMBL28327725 0.87 FFAR1 (0.41) USP30FFAR1KMT2AMBTD1L3MBTL3
SCHEMBL28468815 0.87 FFAR1 (0.41) USP30FFAR1KMT2AMBTD1L3MBTL3
SCHEMBL27992544 0.85 FFAR1 (0.40) USP30FFAR1KMT2ASMN1; SMN2MAPK1
SCHEMBL27499074 0.84 NOTUM (0.42) MAPTNPSR1NOTUMLMNAMAPK1
Toluene SCHEMBL27791508 0.84 FFAR1 (0.41) FFAR1KMT2AMEN1L3MBTL1HTT
SCHEMBL28742865 0.83 MAPK1 (0.37) KMT2AMEN1SLC6A2SLC6A3MAPK1
SCHEMBL27909959 0.83 FFAR1 (0.36) USP30MAPTFFAR1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 — — EP disclosed
EP-2601190-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS AH USA 42 LLC (US) 2013-06-12 — — EP disclosed
US-8415310-B2 Isoxazoline derivatives as antiparasitic agents AH USA 42 LLC (US) 2013-04-09 — — US disclosed
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 — — US disclosed
WO-2012017359-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-02-09 — — WO disclosed
CN-101374517-A Use of 2-imidazoles for the treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 — — CN disclosed
CN-101228123-A Novel 2-azetidinone derivatives and their use as cholesterol absorption inhibitors for the treatment of hyperlipidaemia ASTRAZENECA AB (SE) 2008-07-23 — — CN disclosed
CN-101222950-A Processes for production of 4-(biphenylyl)azetidin-2-one phosphonic acids MICROBIA INC (US) 2008-07-16 — — CN disclosed
CN-1097415-A N-substituted 2-azetidinones BRISTOL MYERS SQUIBB CO (US) 1995-01-18 — — CN 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-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ADORA1, CYP3A7, RDX USP30 3485/4885MAPT 4709/4885FFAR1 2771/4885

“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.

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