SCHEMBL19970744

SCHEMBL19970744

OCc1ccc2nc(-c3cccc(OC(F)(F)F)c3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
RUNX1 Q01196 3/20 0.54
TRPV1 Q8NER1 1/20 0.52
CBFB Q13951 6/20 0.49
DHODH Q02127 1/20 0.48
BACE1 P56817 1/20 0.46
CHEK2 O96017 2/20 0.46
NPBWR1 P48145 1/20 0.45
KIT P10721 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SLC2A1 P11166 1/20 0.44

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
SCHEMBL19970815 0.87 TRPV1 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19RUNX1
SCHEMBL19970876 0.82 NPBWR1 (0.60) CYP1A2CYP3A4CYP2C9CYP2C19CBFB
SCHEMBL11903492 0.81 NPC1 (0.66) CYP1A2CYP3A4CYP2C9CYP2C19RUNX1
SCHEMBL19970739 0.79 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C9CYP2C19TRPV1
SCHEMBL2617470 0.78 CBFB (0.66) CYP3A4CBFBCHEK2NPBWR1HDAC6
SCHEMBL19970753 0.78 RUNX1 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19RUNX1
SCHEMBL11903481 0.77 TRPV1 (0.72) CYP1A2CYP3A4CYP2C9CYP2C19RUNX1
SCHEMBL19970794 0.75 NPBWR1 (0.67) TRPV1CBFBCHEK2NPBWR1
SCHEMBL5510433 0.75 ABL1 (0.54)
SCHEMBL31289533 0.75 PRMT1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19RUNX1

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 CYP1A2 2067/4885CYP3A4 460/4885CYP2C9 2406/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS CYP1A2 2067/4885CYP3A4 460/4885CYP2C9 2406/4885

“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.