SCHEMBL3710923

SCHEMBL3710923

NC(=O)Oc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CDK8 P49336 2/20 0.45
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
NR3C2 P08235 1/20 0.40
EPHX1 P07099 1/20 0.39
KMO O15229 2/20 0.38
AR P10275 1/20 0.38
MPL P40238 1/20 0.38
SCN9A Q15858 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
GRM4 Q14833 1/20 0.38
VNN1 O95497 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
SCHEMBL3710890 0.86 KIF11 (0.51) KIF11MEN1KMT2ACDK8SCN9A
SCHEMBL18697357 0.86 CDK8 (0.44) CDK8HTR2ASLC6A4KCNH2KMO
SCHEMBL17352128 0.86 CDK8 (0.44) CDK8HTR2ASLC6A4KCNH2KMO
SCHEMBL17352175 0.86 CDK8 (0.44) CDK8HTR2ASLC6A4KCNH2KMO
SCHEMBL17352150 0.83 MAOB (0.45) CDK8HTR2ASLC6A4KCNH2KMO
SCHEMBL1893249 0.83 LMNA (0.44) KIF11MEN1KMT2ACDK8HTR2A
SCHEMBL17356406 0.83 CDK8 (0.42) CDK8HTR2ASLC6A4KCNH2KMO
SCHEMBL17352125 0.83 MAOB (0.45) CDK8HTR2ASLC6A4KCNH2KMO
SCHEMBL17352167 0.81 MAPT (0.44) KMT2ACDK8HTR2ASLC6A4KCNH2
SCHEMBL17356472 0.81 CDK8 (0.44) CDK8HTR2ASLC6A4KCNH2NR3C2

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
US-20220213102-A1 DIAZEPINONE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2022-07-07 US disclosed
US-20220135590-A1 ISOXAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH HBV INFECTIONS Janssen Science Ireland Unlimited Company (IE) 2022-05-05 US disclosed
EP-3976616-A1 FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 EP disclosed
CN-114057739-A Diazepinone derivatives and their use in the treatment of hepatitis b infections 诺维拉治疗公司 2022-02-18 CN disclosed
CN-109843892-B Oxadiazepinone derivatives and their use in the treatment of hepatitis B infections 诺维拉治疗公司 2022-01-25 CN disclosed
CN-113939512-A Fused heterocyclic derivatives as antiviral agents 爱尔兰詹森科学公司 2022-01-14 CN disclosed
CN-113939511-A Difluoroazepane as HBV capsid assembly modulators 爱尔兰詹森科学公司 2022-01-14 CN disclosed
CN-113906028-A Fused heterocyclic derivatives 爱尔兰詹森科学公司 2022-01-07 CN disclosed
CN-113906031-A Fused heterocyclic derivatives as capsid assembly modulators 爱尔兰詹森科学公司 2022-01-07 CN disclosed
CN-113891889-A Diazepinone derivatives as capsid assembly modulators 爱尔兰詹森科学公司 2022-01-04 CN disclosed
CN-113631538-A Novel potassium channel inhibitors 萨尼奥纳有限责任公司 2021-11-09 CN disclosed
CN-109641896-B Diazepinone derivatives and their use in the treatment of hepatitis b infections 诺维拉治疗公司 2021-09-21 CN disclosed
WO-2020243135-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
WO-2020243142-A1 FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
WO-2020239863-A1 DIAZEPINONE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
WO-2020239862-A1 DI-FLUORO AZEPANES AS HBV CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
EP-3728272-A1 ISOXAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH HBV INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2020-10-28 EP disclosed
CN-111511747-A Isoxazole compounds for the treatment of diseases associated with HBV infection 爱尔兰詹森科学公司 2020-08-07 CN disclosed
CN-109641896-A DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS 诺维拉治疗公司 2019-04-16 CN disclosed
WO-2010103381-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES AS TRPM 8 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-16 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 (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-20220213102-A1 DIAZEPINONE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS BAZ2A, BAZ2B, BAZ1A KIF11 3039/4885MEN1 2173/4885KMT2A 1825/4885
US-20220135590-A1 ISOXAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH HBV INFECTIONS HAVCR2, XDH, PYGL KIF11 4572/4885MEN1 3773/4885KMT2A 4307/4885

“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.