SCHEMBL8739775

SCHEMBL8739775

CC(C)(C)OC(=O)NCc1nnn[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 3/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
KDM4A O75164 1/20 0.38
CYP1A2 P05177 1/20 0.37
PARP1 P09874 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NAMPT P43490 2/20 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
SCHEMBL1302384 0.85 NPSR1 (0.51) KDM4ELMNAGFERNPSR1ALDH1A1
SCHEMBL11043506 0.83 TSHR (0.37) KDM4ELMNA
SCHEMBL11084892 0.82 TDP1 (0.48) KDM4ELMNAGFERNPSR1ALDH1A1
SCHEMBL24087988 0.80 GLS (0.48) GFERL3MBTL1PARP1HSD17B10NAMPT
SCHEMBL10265493 0.79 CACNA1B (0.39) KDM4ECACNA1BL3MBTL1HSD17B10CA1
SCHEMBL17501246 0.77 DRD2 (0.45) GFERKMT2A
SCHEMBL5393659 0.76 CTSL (0.38) KDM4ELMNAGFERNPSR1ALDH1A1
SCHEMBL2789986 0.76 NPSR1 (0.39) KDM4ENPSR1L3MBTL1ALDH1A1HTT
SCHEMBL10942193 0.76 FAAH (0.33) KDM4ELMNACA12CA1CA2
SCHEMBL24088159 0.76 L3MBTL1 (0.50) KDM4ELMNANPSR1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347008-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2022-03-09 EP disclosed
WO-2021252640-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 US disclosed
WO-2017081615-A1 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2017-05-18 WO disclosed
US-20170073360-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 US disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-4829053-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-09 US disclosed
EP-0262318-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1988-04-06 EP disclosed
US-4529802-A A carboxylated thiazole oxime compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-07-16 US disclosed
EP-0025199-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 EP disclosed
EP-0088454-A2 New starting compounds for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-14 EP disclosed
US-4394384-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-07-19 US disclosed
EP-0025199-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-03-18 EP 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 (2 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-20170073360-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT KDM4E 720/4885LMNA 542/4885GFER 1043/4885
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS KDM4E 4330/4885LMNA 4543/4885GFER 1173/4885

“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.