SCHEMBL19970823

SCHEMBL19970823

COC(=O)c1ccc(COc2ccccc2CN2CCN(Cc3ccc4nc(-c5ccc(C(F)(F)F)cc5)[nH]c4c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.49
HDAC6 Q9UBN7 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
CHEK2 O96017 8/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 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
SCHEMBL19970822 0.94 LMNA (0.45) SLC2A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL23843052 0.93 ACACB (0.47) SLC2A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL19970766 0.93 SLC2A1 (0.46) SLC2A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL19982681 0.92 HDAC6 (0.50) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19970765 0.87 SLC2A1 (0.41) SLC2A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL19970887 0.86 HDAC6 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL23828686 0.85 LMNA (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19970855 0.85 CBFB (0.47) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19970846 0.84 MGLL (0.50) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19982578 0.84 SLC2A1 (0.45) SLC2A1HDAC6HDAC3HDAC1HDAC2

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 SLC2A1 4852/4885HDAC6 214/4885HDAC3 197/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS SLC2A1 4852/4885HDAC6 214/4885HDAC3 197/4885

“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.