SCHEMBL4505641

SCHEMBL4505641

CC(C)(C)OC(=O)NCC12CNCC1C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.40
EPHX1 P07099 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1H O95180 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
GFER P55789 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8383866 0.86 HCRTR2 (0.38) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL14432052 0.84 EPHX1 (0.39) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL7098423 0.83 EPHX1 (0.40) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL8926365 0.83 HCRTR2 (0.41) HCRTR2EPHX1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL22389973 0.83 EPHX1 (0.38) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL9183637 0.81 IRAK4 (0.32) TDP1
SCHEMBL22532010 0.81 HCRTR2 (0.42) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL9183640 0.79 EPHX2 (0.37)
SCHEMBL9181193 0.79 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8925642 0.78 HCRTR2 (0.44) HCRTR2EPHX1TDP1MEN1KMT2A

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
JP-7149758-A None JP disclosed
EP-4486453-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
EP-4058146-B1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL LLC (US) 2024-10-23 EP disclosed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
US-20230278987-A1 Antimicrobial Compounds and Methods CURZA GLOBAL, LLC. 2023-09-07 US disclosed
US-20230072397-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-09 US disclosed
EP-4058146-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2022-09-21 EP disclosed
US-11332459-B2 Benzimidazole derivatives and their uses TEIJIN PHARMA LIMITED (JP) 2022-05-17 US disclosed
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2020-10-01 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed
JP-H07149758-A INTERMEDIATE FOR PREPARATION OF AZABICYCLO QUINOLONE CARBOXYLIC ACID PFIZER INC 1995-06-13 JP disclosed
US-5391763-A 3-aza-bicyclo[3.1.0]hexanes which are intermediates for anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1995-02-21 US disclosed
US-5266569-A Azatricyclo carboxylic acids useful as anti-bacterial agents PFIZER INC. (US) 1993-11-30 US disclosed
US-5229396-A Anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1993-07-20 US disclosed
US-5164402-A Bactericides PFIZER INC (US) 1992-11-17 US disclosed
WO-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 WO disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 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 (5 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-20230278987-A1 Antimicrobial Compounds and Methods CLPP, RPN2, MPO HCRTR2 4809/4885EPHX1 4359/4885TDP1 3800/4885
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 HCRTR2 1943/4885EPHX1 4602/4885TDP1 3071/4885
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES TRPC6, TRPV6, TRPM6 HCRTR2 2033/4885EPHX1 4016/4885TDP1 3817/4885
US-20230072397-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 HCRTR2 4724/4885EPHX1 4311/4885TDP1 4219/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 HCRTR2 2033/4885EPHX1 4016/4885TDP1 3817/4885

“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.