SCHEMBL19970817

SCHEMBL19970817

O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3nc(-c4cccnc4)[nH]c3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
ABCB11 O95342 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CHEK2 O96017 5/20 0.51

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
SCHEMBL19970816 0.94 CYP3A4 (0.52) CYP3A4ABCB11LMNACYP1A2ADRA2A
SCHEMBL19970883 0.91 CYP3A4 (0.56) CYP3A4ABCB11LMNACYP1A2ADRA2A
SCHEMBL19970819 0.85 CYP3A4 (0.54) CYP3A4ABCB11LMNACYP1A2ADRA2A
SCHEMBL19970882 0.84 LMNA (0.56) CYP3A4ABCB11LMNACYP1A2ADRA2A
SCHEMBL19982650 0.82 CHEK2 (0.53) CYP3A4DRD3KDM4EALDH1A1CHEK2
SCHEMBL19970818 0.79 LMNA (0.54) CYP3A4ABCB11LMNACYP1A2ADRA2A
SCHEMBL19970878 0.79 LMNA (0.54) CYP3A4ABCB11LMNACYP1A2ADRA2A
SCHEMBL19970730 0.79 RUNX1 (0.54) KCNH2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL19970764 0.78 AURKA (0.47) CYP3A4CYP2D6ALDH1A1CHEK2MAPT
SCHEMBL19970859 0.77 NAMPT (0.52) CHEK2

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

“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.