SCHEMBL19970819

SCHEMBL19970819

O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3nc(-c4ccccn4)[nH]c3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
LMNA P02545 2/20 0.54
ABCB11 O95342 1/20 0.54
CYP1A2 P05177 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54
CHRM1 P11229 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
HIF1A Q16665 1/20 0.54
CBFB Q13951 6/20 0.52
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50

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
SCHEMBL19970818 0.93 LMNA (0.54) CYP3A4LMNAABCB11CYP1A2ADRA2A
SCHEMBL19970883 0.89 CYP3A4 (0.56) CYP3A4LMNAABCB11CYP1A2ADRA2A
SCHEMBL19970817 0.85 CYP3A4 (0.52) CYP3A4LMNAABCB11CYP1A2ADRA2A
SCHEMBL32660761 0.84 FAAH (0.57) CBFBMETAP2METAP1ALDH1A1KDM4E
SCHEMBL19970882 0.82 LMNA (0.56) CYP3A4LMNAABCB11CYP1A2ADRA2A
SCHEMBL19970878 0.82 LMNA (0.54) CYP3A4LMNAABCB11CYP1A2ADRA2A
SCHEMBL19982650 0.80 CHEK2 (0.53) CYP3A4DRD3PDE3BPDE3AALDH1A1
SCHEMBL19970771 0.79 CBFB (0.53) CBFBMETAP2METAP1ALDH1A1KDM4E
SCHEMBL19970814 0.79 CBFB (0.69) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL19970816 0.79 CYP3A4 (0.52) CYP3A4LMNAABCB11CYP1A2ADRA2A

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 6 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
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 CYP3A4 460/4885LMNA 614/4885ABCB11 2726/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS CYP3A4 460/4885LMNA 614/4885ABCB11 2726/4885

“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.