SCHEMBL19793133

SCHEMBL19793133

OCc1noc2cc(Br)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
ESR1 P03372 7/20 0.36
ESR2 Q92731 7/20 0.36
HSP90AA1 P07900 2/20 0.36
SCD5 Q86SK9 1/20 0.36
PRNP P04156 1/20 0.34
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
MAOB P27338 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL30645695 1.00 ACHE (0.44) ACHEESR1ESR2HSP90AA1SCD5
SCHEMBL3523748 0.84 ACHE (0.45) ACHEESR1ESR2HSP90AA1SCD5
SCHEMBL3524883 0.80 MAPT (0.56) ACHESCD5LMNAMAPTKDM4E
SCHEMBL32670475 0.79 MAPT (0.43) ACHEPRNPLMNAMAPTBRD4
SCHEMBL3526161 0.79 ACHE (0.38) ACHEESR1ESR2HSP90AA1SCD5
SCHEMBL13244919 0.77 ESR1 (0.39) ACHEESR1ESR2HSP90AA1SCD5
SCHEMBL3522105 0.76 RAB9A (0.44) ACHELMNAMAPTKDM4EALDH1A1
SCHEMBL5512412 0.76 ESR1 (0.42) ACHEESR1ESR2HSP90AA1SCD5
SCHEMBL3523616 0.76 LMNA (0.47) ACHEPRNPLMNAMAPTKDM4E
SCHEMBL3523047 0.74 ACHE (0.59) ACHESCD5MAPTKDM4EMEN1

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
CN-110506038-B Pesticidal compounds 巴斯夫欧洲公司 2023-11-24 CN disclosed
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 EP disclosed
US-11160280-B2 Pesticial compounds BASF SE (DE) 2021-11-02 US disclosed
EP-3601231-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2020-02-05 EP disclosed
US-20200029566-A1 Pesticial Compounds BASF SE (DE) 2020-01-30 US disclosed
WO-2018177781-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2018-10-04 WO disclosed
US-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 US disclosed
US-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 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 (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-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRIK4, GRM4, GRM1 ACHE 664/4885ESR1 987/4885ESR2 901/4885
US-11160280-B2 Pesticial compounds PNMT, DDT, NIT2 ACHE 10/4885ESR1 4814/4885ESR2 4310/4885
US-20200029566-A1 Pesticial Compounds PNMT, DDT, NIT2 ACHE 10/4885ESR1 4814/4885ESR2 4310/4885

“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.