SCHEMBL1324152

SCHEMBL1324152

CCCCCC1=NOCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
KCNH2 Q12809 1/20 0.31
DHFR P00374 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
FKBP1A P62942 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
SCHEMBL9662341 0.98 ACHE (0.35) MEN1KMT2AACHEBACE1KCNH2
SCHEMBL12356587 0.69 TSHR (0.40) MEN1KMT2AACHEBACE1KCNH2
Fluoride SCHEMBL29252750 0.67 MEN1 (0.37) MEN1KMT2AACHEBACE1KCNH2
SCHEMBL25000897 0.64 DNM1 (0.33)
SCHEMBL3659904 0.64 MEN1 (0.38) MEN1KMT2AACHEBACE1KCNH2
SCHEMBL20262285 0.62 ESR1 (0.31) MEN1KMT2AACHEALDH1A1
SCHEMBL5597049 0.62 TSHR (0.38) ACHEKCNH2ALDH1A1THRB
SCHEMBL11304936 0.62 TSHR (0.38) ACHEKCNH2ALDH1A1THRB
SCHEMBL449800 0.62 TSHR (0.38) ACHEKCNH2ALDH1A1THRB
SCHEMBL168713 0.62 TSHR (0.38) ACHEKCNH2ALDH1A1THRB

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8198823-A None JP disclosed
EP-2531493-B1 SUBSTITUTED KETONIC ISOXAZOLINE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2015-07-22 EP disclosed
US-8999889-B2 Substituted ketonic isoxazoline compounds and derivatives for combating animal pests BASF SE (DE) 2015-04-07 US disclosed
EP-2531493-A1 SUBSTITUTED KETONIC ISOXAZOLINE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2012-12-12 EP disclosed
US-20120309620-A1 Substituted ketonic isoxazoline compounds and derivatives for combating animal pests BASF SE (DE) 2012-12-06 US disclosed
CN-101016270-B Substituted piperazinphenylisoxazoline derivative and use thereof TIANJIN INST PHARM RESEARCH 2012-05-09 CN disclosed
US-8053452-B2 Substituted isoxazoline or enone oxime compound, and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-08 US disclosed
WO-2011092287-A1 SUBSTITUTED KETONIC ISOXAZOLINE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2011-08-04 WO disclosed
CN-101070308-B Isoxazoline derivative and its use TIANJIN INST PHARM RESEARCH 2011-05-04 CN disclosed
CN-101220000-B Acyl chloride and sulfonyl chloride derivant, and uses thereof TIANJIN INST PHARM RESEARCH 2010-12-22 CN disclosed
US-5686434-A PHOSPHODIESTERASE TYPE IV INHIBITORS PFIZER INC. (US) 1997-11-11 US disclosed
EP-0730587-A1 3-ARYL-2-ISOXAZOLINES AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-09-11 EP disclosed
EP-0730587-A1 3-ARYL-2-ISOXAZOLINES AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-09-11 EP disclosed
JP-H08198823-A PRODUCTION OF 3-AMINO-3-ARYL-1-PROPANOL DERIVATIVE NIPPON SODA CO LTD 1996-08-06 JP disclosed
EP-0719261-A1 SUBSTITUTED ISOXAZOLINES, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE AS SAFENERS Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995014680-A1 3-ARYL-2-ISOXAZOLINES AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1995-06-01 WO disclosed
WO-1995014680-A1 3-ARYL-2-ISOXAZOLINES AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1995-06-01 WO disclosed
WO-1995007897-A1 SUBSTITUTED ISOXAZOLINES, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE AS SAFENERS HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
US-4906277-A Isoxazoline derivatives and plant growth regulators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-03-06 US disclosed
US-4889551-A Isoxazoline derivatives and plant growth regulators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-12-26 US 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-20120309620-A1 Substituted ketonic isoxazoline compounds and derivatives for combating animal pests PDHX, PRDX1, PRDX5 MEN1 3524/4885KMT2A 489/4885ACHE 290/4885

“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.