SCHEMBL19970841

SCHEMBL19970841

FC(F)(F)Oc1cccc(CN2CCN(Cc3ccc4nc(-c5cccnc5)[nH]c4c3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 3/20 0.53
KIT P10721 6/20 0.49
NPY5R Q15761 1/20 0.48
CYP11B1 P15538 1/20 0.48
SLC2A1 P11166 1/20 0.47
DGAT1 O75907 1/20 0.47
KCNH2 Q12809 1/20 0.47
TRPV6 Q9H1D0 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL19970839 0.93 KIT (0.49) RUNX1KITNPY5RCYP11B1SLC2A1
SCHEMBL19970730 0.93 RUNX1 (0.54) RUNX1KITNPY5RCYP11B1SLC2A1
SCHEMBL19970753 0.90 RUNX1 (0.59) RUNX1SLC2A1CYP1A2CYP3A4CYP2C9
SCHEMBL19970865 0.89 STAT3 (0.51) RUNX1KITSLC2A1MAPTHTT
SCHEMBL19970729 0.85 NAMPT (0.49) RUNX1KITNPY5RCYP11B1MAPT
SCHEMBL19970798 0.84 KCNH2 (0.62) KITCYP11B1SLC2A1DGAT1KCNH2
SCHEMBL19970864 0.84 STAT3 (0.51) KITMAPTHTTKDM4EALDH1A1
SCHEMBL23843003 0.83 RUNX1 (0.46) RUNX1KITNPY5RCYP11B1SLC2A1
SCHEMBL19970758 0.83 CBFB (0.66) RUNX1NPC1RAB9ACBFBOPRM1
SCHEMBL19970752 0.82 RUNX1 (0.52) RUNX1SLC2A1CYP1A2CYP3A4CYP2C9

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 RUNX1 2083/4885KIT 2765/4885NPY5R 4623/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS RUNX1 2083/4885KIT 2765/4885NPY5R 4623/4885

“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.