SCHEMBL19970795

SCHEMBL19970795

COC(=O)c1ccc(COc2ccccc2CN2CCN(C(=O)c3ccc4[nH]c(-c5cccnc5)nc4c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.42
FABP6 P51161 1/20 0.42
KIT P10721 1/20 0.41
FAAH O00519 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
JAK2 O60674 1/20 0.40
HPSE Q9Y251 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL19970796 0.94 ACACB (0.51) ACACBALDH1A1KDM4EHTTLMNA
SCHEMBL19970886 0.93 KIT (0.44) ACACBALDH1A1KDM4EHTTLMNA
SCHEMBL19970844 0.93 LMNA (0.46) ACACBALDH1A1KDM4EHTTLMNA
SCHEMBL19970887 0.88 HDAC6 (0.44) ACACBALDH1A1KDM4EHTTLMNA
SCHEMBL19970731 0.88 ACACB (0.45) ACACBALDH1A1KDM4EHTTLMNA
SCHEMBL19970846 0.87 MGLL (0.50) ACACBALDH1A1KDM4EHTTLMNA
SCHEMBL23828686 0.85 LMNA (0.48) ALDH1A1KDM4ELMNAFAAHSMN1; SMN2
SCHEMBL19970843 0.82 LMNA (0.44) ALDH1A1KDM4EHTTLMNAFAAH
SCHEMBL19970732 0.82 ACACB (0.52) ACACBALDH1A1KDM4EHTTLMNA
SCHEMBL23843052 0.81 ACACB (0.47) ACACBSMN1; SMN2

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 ACACB 4387/4885ALDH1A1 1822/4885KDM4E 1873/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS ACACB 4387/4885ALDH1A1 1822/4885KDM4E 1873/4885

“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.