SCHEMBL3759738

SCHEMBL3759738

Cc1nsc(NC(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.49
SMN1; SMN2 Q16637 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA3 P0DMS8 6/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
LMNA P02545 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL1855039 0.80 RAB9A (0.58) GRM1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL24491025 0.80 RAB9A (0.56) GRM1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL24491092 0.79 GRM1 (0.43) GRM1SMN1; SMN2L3MBTL1ADORA3RXFP1
SCHEMBL1377141 0.79 ADORA3 (0.68) GRM1SMN1; SMN2L3MBTL1ADORA3RXFP1
SCHEMBL4499496 0.78 NPC1 (0.43) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL3675623 0.77 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1ADORA3RXFP1NPC1
SCHEMBL17667391 0.76 ADORA3 (0.41) SMN1; SMN2L3MBTL1ADORA3RXFP1NPC1
SCHEMBL9852280 0.75 ALDH1A1 (0.69) SMN1; SMN2RXFP1NPC1RAB9ALMNA
SCHEMBL20971871 0.71 JAK2 (0.39) GRM1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL31110030 0.70 NPC1 (0.55) GRM1SMN1; SMN2L3MBTL1ADORA3RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP. (US) 2022-01-25 US disclosed
EP-3390357-B1 BIARYL MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-11-19 US disclosed
US-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP (US) 2019-09-10 US disclosed
US-20190071436-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2019-03-07 US disclosed
EP-3426248-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2019-01-16 EP disclosed
US-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2018-11-29 US disclosed
WO-2017155765-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2017-09-14 WO disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US disclosed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP disclosed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 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 (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-20180339983-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS BMX, BTK, ABCB11 GRM1 3452/4885SMN1; SMN2 3459/4885L3MBTL1 1367/4885
US-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MGAM, BMX, XDH GRM1 2594/4885SMN1; SMN2 3231/4885L3MBTL1 455/4885
US-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS GRM1 4397/4885SMN1; SMN2 2075/4885L3MBTL1 2144/4885
US-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 GRM1 403/4885SMN1; SMN2 2454/4885L3MBTL1 2773/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX GRM1 3621/4885SMN1; SMN2 3212/4885L3MBTL1 1267/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX GRM1 3769/4885SMN1; SMN2 3440/4885L3MBTL1 1520/4885
US-20190071436-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, BMX, XDH GRM1 2594/4885SMN1; SMN2 3231/4885L3MBTL1 455/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 GRM1 1890/4885SMN1; SMN2 3079/4885L3MBTL1 4720/4885

“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.