SCHEMBL19970828

SCHEMBL19970828

FC(F)(F)c1ccc(CN2CCN(Cc3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.64
SLC2A1 P11166 2/20 0.62
KCNH2 Q12809 5/20 0.61
DGAT1 O75907 4/20 0.61
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR2A P28223 1/20 0.56
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
SOAT1 P35610 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL19970827 0.91 SLC2A1 (0.55) NPBWR1SLC2A1KCNH2DGAT1HTR1A
SCHEMBL19970798 0.89 KCNH2 (0.62) NPBWR1SLC2A1KCNH2DGAT1KDM4E
SCHEMBL30011089 0.87 SLC2A1 (0.58) NPBWR1SLC2A1KCNH2DGAT1HDAC6
SCHEMBL19970807 0.86 ACACB (0.62) NPBWR1SLC2A1KCNH2DGAT1BCHE
SCHEMBL19970728 0.86 FAAH (0.63) NPBWR1SLC2A1
SCHEMBL19970741 0.86 RUNX1 (0.61) NPBWR1SLC2A1KCNH2DGAT1HTR1A
SCHEMBL19970773 0.85 CBFB (0.67) SLC2A1KCNH2FGFR1FLT1KDM4E
SCHEMBL19970777 0.83 SLC2A1 (0.58) NPBWR1SLC2A1KCNH2DGAT1BCHE
SCHEMBL19970753 0.82 RUNX1 (0.59) NPBWR1SLC2A1HTR1ADRD2HTR2A
SCHEMBL19970734 0.82 KCNH2 (0.48) SLC2A1KCNH2BCHEACHEFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-25 US disclosed
US-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION UNIVERSITE D'ORLEANS (FR) 2021-09-23 US disclosed
US-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION UNIVERSITE D'ORLEANS (FR) 2021-09-23 US disclosed
WO-2018050771-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-22 WO disclosed
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 EP disclosed
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 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-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION FIP1L1, ZC3HAV1, MAVS NPBWR1 4485/4885SLC2A1 4852/4885KCNH2 2042/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS NPBWR1 4485/4885SLC2A1 4852/4885KCNH2 2042/4885

“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.