SCHEMBL19970859

SCHEMBL19970859

O=C(c1ccc2nc(-c3cccnc3)[nH]c2c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
LSS P48449 1/20 0.50
ACACB O00763 1/20 0.49
RUNX1 Q01196 1/20 0.48
STAT3 P40763 2/20 0.47
CHEK2 O96017 7/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC2A1 P11166 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 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
SCHEMBL19970858 0.94 NAMPT (0.52) NAMPTLSSACACBRUNX1STAT3
SCHEMBL19970865 0.92 STAT3 (0.51) ACACBRUNX1STAT3CHEK2BCHE
SCHEMBL19970885 0.91 BCHE (0.56) LSSACACBRUNX1CHEK2BCHE
SCHEMBL19970737 0.90 SLC2A1 (0.57) ACACBSTAT3BCHEACHEHDAC6
SCHEMBL19970730 0.88 RUNX1 (0.54) NAMPTRUNX1SLC2A1CYP11B1CYP11B2
SCHEMBL19970864 0.86 STAT3 (0.51) NAMPTACACBSTAT3MEN1KMT2A
SCHEMBL19970849 0.85 RUNX1 (0.58) LSSACACBRUNX1STAT3CHEK2
SCHEMBL19970884 0.84 LSS (0.54) LSSRUNX1STAT3CHEK2BCHE
SCHEMBL19970729 0.83 NAMPT (0.49) NAMPTRUNX1CYP11B1CYP11B2
SCHEMBL19970736 0.83 SIGMAR1 (0.52) ACACBSTAT3MEN1KMT2ASLC2A1

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 5 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
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 NAMPT 1651/4885LSS 937/4885ACACB 4387/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS NAMPT 1651/4885LSS 937/4885ACACB 4387/4885

“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.