SCHEMBL2094594

SCHEMBL2094594

[O]Cc1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.46
DGAT1 O75907 1/20 0.44
AKR1B1 P15121 4/20 0.43
PDPK1 O15530 1/20 0.43
CHRM5 P08912 1/20 0.41
KDM1A O60341 3/20 0.41
TRAP1 Q12931 2/20 0.39
HSP90B1 P14625 1/20 0.39
NAAA Q02083 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
P2RX7 Q99572 1/20 0.38
KDM1B Q8NB78 1/20 0.37

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
SCHEMBL6669679 0.82 PYCR1 (0.46) PYCR1DGAT1AKR1B1PDPK1CHRM5
SCHEMBL1310479 0.82 PYCR1 (0.50) PYCR1DGAT1AKR1B1PDPK1CHRM5
SCHEMBL15352101 0.82 DPP4 (0.40) PYCR1DGAT1AKR1B1PDPK1KDM1A
Hydrochloric Acid SCHEMBL27635784 0.80 PYCR1 (0.49) PYCR1DGAT1AKR1B1PDPK1CHRM5
SCHEMBL31448605 0.79 PYCR1 (0.47) PYCR1DGAT1AKR1B1PDPK1CHRM5
SCHEMBL15806743 0.79 PYCR1 (0.47) PYCR1DGAT1AKR1B1PDPK1CHRM5
SCHEMBL29393338 0.79 PYCR1 (0.47) PYCR1DGAT1AKR1B1PDPK1CHRM5
SCHEMBL20465750 0.79 PYCR1 (0.47) PYCR1DGAT1AKR1B1PDPK1CHRM5
SCHEMBL308050 0.79 PYCR1 (0.47) PYCR1DGAT1AKR1B1PDPK1CHRM5
SCHEMBL5879 0.78 PDPK1 (0.44) PYCR1DGAT1AKR1B1PDPK1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112340-B1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO, AND PRECURSOR OF 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO STELLA PHARMA CORP (JP) 2020-07-15 EP claimed
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II MEDIFRON DBT INC. (KR) 2017-09-07 US disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1714079-A Mandelic acid derivatives HOFFMANN LA ROCHE (CH) 2005-12-28 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PYCR1 783/4885DGAT1 1453/4885AKR1B1 495/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 PYCR1 169/4885DGAT1 2335/4885AKR1B1 216/4885
US-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II TRPV1, TRPV2, GPR17 PYCR1 1175/4885DGAT1 2570/4885AKR1B1 2210/4885

“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.