SCHEMBL73373

SCHEMBL73373

COc1cccc(N(S)C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
MTNR1A P48039 11/20 0.48
MTNR1B P49286 11/20 0.48
HSD17B2 P37059 2/20 0.48
HSD17B1 P14061 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44

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
SCHEMBL3981848 0.88 MTNR1A (0.48) MTNR1AMTNR1BL3MBTL1
SCHEMBL4981179 0.84 MTNR1A (0.46) MTNR1AMTNR1BPRSS1
SCHEMBL28382188 0.83 PARP1 (0.56) PARP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL4171297 0.82 ALDH1A1 (0.42) PARP1
SCHEMBL3425889 0.82 ALOX5 (0.50)
SCHEMBL4979327 0.81 FFAR1 (0.46) PARP1MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL14317676 0.80 ACHE (0.50) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL5039044 0.79 CYP1A2 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3427189 0.79 THRB (0.47) MTNR1AMTNR1B
SCHEMBL4977288 0.79 MTNR1A (0.45) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
US-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2015-05-07 US disclosed
US-8921546-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2014-12-30 US disclosed
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2014-08-28 US disclosed
US-8557810-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2013-10-15 US disclosed
EP-2001892-B1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES AMBIT BIOSCIENCES CORP (US) 2013-04-24 EP disclosed
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2012-05-24 US disclosed
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 US 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-7820657-B2 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION (US) 2010-10-26 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
EP-2001892-A2 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE Ambit Biosciences Corporation (US) 2008-12-17 EP 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-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
WO-2007109120-A2 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2007-09-27 WO 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 (8 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-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 PARP1 3787/4885MTNR1A 315/4885MTNR1B 286/4885
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 PARP1 3787/4885MTNR1A 315/4885MTNR1B 286/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 PARP1 4114/4885MTNR1A 815/4885MTNR1B 462/4885
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 PARP1 3787/4885MTNR1A 315/4885MTNR1B 286/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 PARP1 3787/4885MTNR1A 315/4885MTNR1B 286/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK PARP1 2374/4885MTNR1A 1164/4885MTNR1B 1064/4885
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 PARP1 4114/4885MTNR1A 815/4885MTNR1B 462/4885
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 PARP1 2555/4885MTNR1A 1083/4885MTNR1B 554/4885

“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.