SCHEMBL653293

SCHEMBL653293

NC(=O)N(S)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
PARP1 P09874 1/20 0.48
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
PLAU P00749 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL11260248 0.83 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27950444 0.81 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10875825 0.80 TPMT (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11841682 0.79 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27570742 0.78 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5634132 0.78 PARP1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5634705 0.78 PARP1 (0.48) PARP1ALDH1A1SMN1; SMN2
SCHEMBL9264543 0.78 PARP1 (0.48) PARP1ALDH1A1MEN1KMT2A
SCHEMBL526060 0.76 NPC1 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1681249 0.76 NPSR1 (0.46) PARP1MAPTALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711026-B2 Spinosyn derivatives as insecticides AGRIMETIS, LLC (US) 2020-07-14 US disclosed
EP-3344610-B1 SPINOSYN DERIVATIVES AS INSECTICIDES AGRIMETIS LLC (US) 2020-05-06 EP disclosed
US-20190309007-A1 SPINOSYN DERIVATIVES AS INSECTICIDES CORTEVA AGRISCIENCE LLC 2019-10-10 US disclosed
EP-3344610-A1 SPINOSYN DERIVATIVES AS INSECTICIDES Agrimetis, LLC (US) 2018-07-11 EP disclosed
WO-2017040882-A1 SPINOSYN DERIVATIVES AS INSECTICIDES AGRIMETIS, LLC (US) 2017-03-09 WO disclosed
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-7799808-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-09-21 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
WO-2010012793-A1 FUNGICIDE AMINOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-04 WO disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta SIROCCO THERAPEUTICS, INC. 2005-03-31 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 (7 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 HTR3E 2370/4885HTR3B 1303/4885HTR3A 1962/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 HTR3E 2370/4885HTR3B 1303/4885HTR3A 1962/4885
US-20190309007-A1 SPINOSYN DERIVATIVES AS INSECTICIDES SPIN3, ACHE, SPIN4 HTR3E 1142/4885HTR3B 767/4885HTR3A 314/4885
US-10711026-B2 Spinosyn derivatives as insecticides SPIN3, ACHE, SPIN4 HTR3E 1142/4885HTR3B 767/4885HTR3A 314/4885
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 HTR3E 2370/4885HTR3B 1303/4885HTR3A 1962/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM HTR3E 3231/4885HTR3B 2914/4885HTR3A 2354/4885
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease PSEN2, APP, BACE1 HTR3E 1379/4885HTR3B 699/4885HTR3A 1440/4885

“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.