SCHEMBL19970816

SCHEMBL19970816

O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3[nH]c(-c4cccnc4)nc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
DRD3 P35462 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
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
PDE3B Q13370 1/20 0.48

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
SCHEMBL19970817 0.94 CYP3A4 (0.52) CYP3A4DRD3ABCB11LMNACYP1A2
SCHEMBL19970882 0.91 LMNA (0.56) CYP3A4DRD3ABCB11LMNACYP1A2
SCHEMBL19970818 0.85 LMNA (0.54) CYP3A4DRD3ABCB11LMNACYP1A2
SCHEMBL19970883 0.84 CYP3A4 (0.56) CYP3A4DRD3ABCB11LMNACYP1A2
SCHEMBL19970877 0.79 LMNA (0.54) CYP3A4DRD3ABCB11LMNACYP1A2
SCHEMBL19970819 0.79 CYP3A4 (0.54) CYP3A4DRD3ABCB11LMNACYP1A2
SCHEMBL19970729 0.79 NAMPT (0.49) KDM4EALDH1A1MAPTSMN1; SMN2KIT
SCHEMBL19970763 0.78 KIT (0.45) CYP3A4CYP2D6KDM4EALDH1A1MAPT
SCHEMBL19970858 0.77 NAMPT (0.52) KITMEN1GPR183KMT2A
SCHEMBL19970797 0.75 DGAT1 (0.53) CYP3A4KCNH2HIF1AKDM4EALDH1A1

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 CYP3A4 460/4885DRD3 2942/4885ABCB11 2726/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS CYP3A4 460/4885DRD3 2942/4885ABCB11 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.