SCHEMBL19970827

SCHEMBL19970827

FC(F)(F)c1ccc(CN2CCN(Cc3ccc4[nH]c(-c5ccccc5)nc4c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.55
NPBWR1 P48145 2/20 0.54
KCNH2 Q12809 2/20 0.52
DGAT1 O75907 1/20 0.52
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
GNRHR P30968 3/20 0.46
TACR2 P21452 1/20 0.46
HRH2 P25021 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CASP1 P29466 1/20 0.45
CASP4 P49662 1/20 0.45

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
SCHEMBL19970828 0.91 NPBWR1 (0.64) SLC2A1NPBWR1KCNH2DGAT1BCHE
SCHEMBL19970797 0.89 DGAT1 (0.53) SLC2A1KCNH2DGAT1KDM4EALDH1A1
SCHEMBL19970806 0.86 SIGMAR1 (0.61) SLC2A1BCHEACHEHIF1AEPAS1
SCHEMBL19970727 0.86 FAAH (0.63) SLC2A1KCNH2HIF1AEPAS1FAAH
SCHEMBL19970740 0.86 RUNX1 (0.54) SLC2A1BCHEACHEHTR1ADRD2
SCHEMBL19970772 0.85 CBFB (0.57) SLC2A1KCNH2ACHEKDM4E
SCHEMBL19970776 0.83 SLC2A1 (0.52) SLC2A1BCHEACHEGRIN2BHIF1A
SCHEMBL19970752 0.82 RUNX1 (0.52) SLC2A1BCHEACHEHTR1ADRD2
SCHEMBL19970733 0.82 CASP1 (0.43) SLC2A1KCNH2BCHEACHEDRD2
SCHEMBL19970807 0.80 ACACB (0.62) SLC2A1NPBWR1KCNH2DGAT1BCHE

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 3 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
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 SLC2A1 4852/4885NPBWR1 4485/4885KCNH2 2042/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS SLC2A1 4852/4885NPBWR1 4485/4885KCNH2 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.