SCHEMBL4479092

SCHEMBL4479092

O=C(O)NCCNc1ccc(Br)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
RAB9A P51151 7/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
HCAR3 P49019 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL2714323 0.82 TSHR (0.65) TSHRRAB9ANPC1SMN1; SMN2PKM
SCHEMBL3943928 0.81 HCAR3 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL26097018 0.79 TSHR (0.54) TSHRRAB9ANPC1SMN1; SMN2PKM
SCHEMBL4440896 0.79 HCAR3 (0.36) TSHRRAB9ANPC1PRKAB2PRKAG1
SCHEMBL30931818 0.79 BCHE (0.46) TSHRRAB9ANPC1PRKAB2PRKAG1
SCHEMBL12964548 0.79 BCHE (0.46) TSHRRAB9ANPC1PRKAB2PRKAG1
SCHEMBL21384883 0.78 TSHR (0.42) TSHRRAB9ANPC1SMN1; SMN2PKM
SCHEMBL23321251 0.78 TSHR (0.59) TSHRRAB9ANPC1SMN1; SMN2PKM
SCHEMBL18990622 0.78 HDAC3 (0.41) TSHRRAB9ANPC1ALDH1A1KMT2A
SCHEMBL22230134 0.78 HCAR3 (0.49) TSHRRAB9ANPC1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
EP-3691639-B1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
US-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MERCK SHARP & DOHME LLC (US) 2022-09-06 US 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
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 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-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2020-09-24 US disclosed
EP-3691639-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2020-08-12 EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 WO disclosed
WO-2019070492-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2019-04-11 WO 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
EP-3390357-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2018-10-24 EP disclosed
WO-2017106064-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
EP-2634176-A1 PYRIDINE DERIVATIVE AND MEDICINAL AGENT Nippon Shinyaku Co., Ltd. (JP) 2013-09-04 EP disclosed
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NIPPON SHINYAKU CO., LTD. (JP) 2013-08-29 US disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (9 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 TSHR 4118/4885RAB9A 959/4885NPC1 865/4885
US-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 TSHR 3953/4885RAB9A 352/4885NPC1 250/4885
US-11433055-B2 Chromane monobactam compounds for the treatment of bacterial infections MGAM, MGAM2, CMBL TSHR 4413/4885RAB9A 1838/4885NPC1 1803/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX TSHR 4082/4885RAB9A 1310/4885NPC1 1012/4885
US-20200361928-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS ABCB11, SQLE, BMX TSHR 4015/4885RAB9A 1304/4885NPC1 984/4885
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NR0B2, NR0B1, CNKSR1 TSHR 542/4885RAB9A 726/4885NPC1 2062/4885
US-20200297702-A1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, CMBL TSHR 4166/4885RAB9A 1814/4885NPC1 1530/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 TSHR 3953/4885RAB9A 352/4885NPC1 250/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 TSHR 115/4885RAB9A 3916/4885NPC1 509/4885

“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.