SCHEMBL19970784

SCHEMBL19970784

O=C(OCc1ccccc1)N1CCN(C(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.59
ENPP2 Q13822 1/20 0.56
ATXN2 Q99700 1/20 0.56
CHEK2 O96017 7/20 0.55
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
ACACB O00763 2/20 0.51
GRIN2B Q13224 1/20 0.50
ACACA Q13085 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
HPGD P15428 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL19970783 0.92 ENPP2 (0.56) MGLLENPP2ATXN2CHEK2ACACB
SCHEMBL19970809 0.92 ACACB (0.52) MGLLENPP2ATXN2CHEK2BCHE
SCHEMBL19970761 0.88 ACACB (0.53) MGLLENPP2ATXN2CHEK2ACACB
SCHEMBL20765540 0.87 ENPP2 (0.57) ENPP2ATXN2BCHEACHEACACB
SCHEMBL19986744 0.85 MGLL (0.57) MGLLCHEK2BCHEACHEACACB
SCHEMBL19970835 0.85 BCHE (0.53) CHEK2BCHEACHEGRIN2BHDAC3
SCHEMBL19970808 0.84 ENPP2 (0.51) MGLLENPP2ATXN2ACACBGRIN2B
SCHEMBL19970792 0.83 ENPP2 (0.54) MGLLENPP2ATXN2ACACBGRIN2B
SCHEMBL21843704 0.82 HPGD (0.70) MGLLCHEK2ACACBACACAHPGD
SCHEMBL16619560 0.81 MGLL (0.65) MGLLCHEK2ACACBACACAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019038683-A1 COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) 2019-02-28 WO claimed
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-2019038683-A1 COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) 2019-02-28 WO 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 MGLL 2286/4885ENPP2 4368/4885ATXN2 4829/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS MGLL 2286/4885ENPP2 4368/4885ATXN2 4829/4885

“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.