SCHEMBL19970731

SCHEMBL19970731

COC(=O)c1ccc(COc2ccccc2CN2CCN(C(=O)c3ccc4[nH]c(-c5ccccn5)nc4c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
GCK P35557 2/20 0.40
CCR8 P51685 3/20 0.40
KCNH2 Q12809 3/20 0.40
KRAS P01116 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 2/20 0.40
FAAH O00519 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK14 Q16539 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL19970732 0.94 ACACB (0.52) ACACBKDM4EALDH1A1HTTLMNA
SCHEMBL19970852 0.93 LMNA (0.42) ACACBKDM4EALDH1A1HTTLMNA
SCHEMBL19970844 0.90 LMNA (0.46) ACACBKDM4EALDH1A1HTTLMNA
SCHEMBL19970855 0.88 CBFB (0.47) ACACBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL19970795 0.88 ACACB (0.45) ACACBKDM4EALDH1A1HTTLMNA
SCHEMBL19970846 0.84 MGLL (0.50) ACACBKDM4EALDH1A1HTTLMNA
SCHEMBL19970843 0.84 LMNA (0.44) KDM4EALDH1A1HTTLMNASMN1; SMN2
SCHEMBL23828686 0.82 LMNA (0.48) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL19970796 0.82 ACACB (0.51) ACACBKDM4EALDH1A1HTTLMNA
SCHEMBL23843052 0.80 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 4387/4885KDM4E 1873/4885ALDH1A1 1822/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS ACACB 4387/4885KDM4E 1873/4885ALDH1A1 1822/4885

“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.