SCHEMBL19970815

SCHEMBL19970815

OCc1ccc2nc(-c3ccc(OC(F)(F)F)cc3)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.61
CHEK2 O96017 3/20 0.57
SLC2A1 P11166 1/20 0.56
RUNX1 Q01196 2/20 0.55
CBFB Q13951 7/20 0.53
NPBWR1 P48145 1/20 0.50
NT5E P21589 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
DGAT1 O75907 1/20 0.47
KCNH2 Q12809 1/20 0.47
HPSE Q9Y251 1/20 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
SCHEMBL19970744 0.87 CYP1A2 (0.60) TRPV1CHEK2SLC2A1RUNX1CBFB
SCHEMBL19970794 0.83 NPBWR1 (0.67) TRPV1CHEK2CBFBNPBWR1NT5E
SCHEMBL11903468 0.79 TRPV1 (0.74) TRPV1CHEK2RUNX1CBFB
SCHEMBL2617470 0.78 CBFB (0.66) CHEK2SLC2A1CBFBNPBWR1NT5E
SCHEMBL11903652 0.78 TRPV1 (0.77) TRPV1CHEK2SLC2A1RUNX1CBFB
SCHEMBL11903498 0.78 TRPV1 (0.77) TRPV1CHEK2RUNX1CBFBNPBWR1
SCHEMBL11903447 0.78 TRPV1 (0.73) TRPV1CHEK2RUNX1CBFBNPBWR1
SCHEMBL19970741 0.78 RUNX1 (0.61) TRPV1CHEK2SLC2A1RUNX1CBFB
SCHEMBL24074352 0.78 TRPV1 (0.61) TRPV1CHEK2RUNX1CBFBNPBWR1
SCHEMBL11903481 0.78 TRPV1 (0.72) TRPV1CHEK2RUNX1CBFBNPBWR1

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 8 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
EP-3512838-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION Centre National De La Recherche Scientifique (FR) 2019-07-24 EP disclosed
WO-2018050771-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-22 WO 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 TRPV1 586/4885CHEK2 1795/4885SLC2A1 4852/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS TRPV1 586/4885CHEK2 1795/4885SLC2A1 4852/4885

“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.