SCHEMBL19970829

SCHEMBL19970829

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccc3[nH]c(-c4cccnc4)nc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.56
HIF1A Q16665 2/20 0.53
EPAS1 Q99814 2/20 0.53
PRKAB2 O43741 4/20 0.51
PRKAG1 P54619 4/20 0.51
PRKAA2 P54646 4/20 0.51
PRKAA1 Q13131 4/20 0.51
PRKAG3 Q9UGI9 4/20 0.51
PRKAG2 Q9UGJ0 4/20 0.51
PRKAB1 Q9Y478 4/20 0.51
TRPV1 Q8NER1 1/20 0.51
SLC2A1 P11166 2/20 0.48
CYP2D6 P10635 1/20 0.47
KIT P10721 2/20 0.47

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
SCHEMBL19970830 0.94 FAAH (0.56) FAAHHIF1AEPAS1PRKAB2PRKAG1
SCHEMBL19970727 0.91 FAAH (0.63) FAAHHIF1AEPAS1PRKAB2PRKAG1
SCHEMBL19970867 0.90 FAAH (0.54) FAAHCYP2D6KIT
SCHEMBL19970797 0.87 DGAT1 (0.53) HIF1AEPAS1SLC2A1KIT
SCHEMBL32660769 0.85 FAAH (0.57) FAAHHIF1AEPAS1PRKAB2PRKAG1
SCHEMBL19970861 0.85 FAAH (0.57) FAAHHIF1AEPAS1PRKAB2PRKAG1
SCHEMBL19970736 0.85 SIGMAR1 (0.52) HIF1AEPAS1PRKAB2PRKAG1PRKAA2
SCHEMBL19970728 0.84 FAAH (0.63) FAAHHIF1AEPAS1PRKAB2PRKAG1
SCHEMBL19970868 0.83 ALDH1A1 (0.55) FAAHKIT
SCHEMBL19970798 0.80 KCNH2 (0.62) HIF1AEPAS1SLC2A1KIT

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 FAAH 3154/4885HIF1A 3621/4885EPAS1 3323/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS FAAH 3154/4885HIF1A 3621/4885EPAS1 3323/4885

“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.