SCHEMBL4553284

SCHEMBL4553284

O=C(NCC1CC1)c1cn[nH]c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.50
ROCK1 Q13464 3/20 0.50
NPC1L1 Q9UHC9 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
MAPK14 Q16539 1/20 0.43
MMP13 P45452 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL4552782 0.94 ROCK2 (0.51) ROCK2ROCK1TDP1MMP13
SCHEMBL4882767 0.92 ROCK2 (0.56) ROCK2ROCK1TDP1MMP13
SCHEMBL14425153 0.91 SMYD3 (0.49) ROCK2ROCK1
SCHEMBL13373545 0.90 EGLN1 (0.47) ROCK2ROCK1
SCHEMBL5525010 0.84 ACACB (0.48) ROCK2ROCK1NPC1L1
SCHEMBL5525008 0.84 ACACB (0.48) ROCK2ROCK1NPC1L1
SCHEMBL5522741 0.83 NPC1L1 (0.54) ROCK2ROCK1NPC1L1
SCHEMBL5521879 0.83 ROCK2 (0.50) ROCK2ROCK1NPC1L1
SCHEMBL5522737 0.83 NPC1L1 (0.54) ROCK2ROCK1NPC1L1
SCHEMBL5521874 0.83 ROCK2 (0.50) ROCK2ROCK1NPC1L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010526-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO claimed
CN-110382492-B Microbiocidal oxadiazole derivatives 先正达参股股份有限公司 2023-07-14 CN disclosed
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 US disclosed
US-11358957-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-06-14 US disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
US-20200277287-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-09-03 US disclosed
EP-3400223-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-11-14 EP disclosed
WO-2018158365-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-09-07 WO disclosed
WO-2017118689-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-07-13 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 (3 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-20200277287-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG2 ROCK2 3546/4885ROCK1 2132/4885NPC1L1 712/4885
US-11358957-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG2 ROCK2 3546/4885ROCK1 2132/4885NPC1L1 712/4885
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES CYP51A1, MPO, NOX5 ROCK2 4330/4885ROCK1 3450/4885NPC1L1 1154/4885

“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.