SCHEMBL19970876

SCHEMBL19970876

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
DGAT1 O75907 4/20 0.57
KCNH2 Q12809 4/20 0.57
CBFB Q13951 1/20 0.52
PARP1 P09874 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
KIT P10721 1/20 0.48
CHEK2 O96017 1/20 0.47
SOAT1 P35610 1/20 0.47
PIN1 Q13526 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 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
SCHEMBL19970875 0.90 NPBWR1 (0.50) NPBWR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19970794 0.86 NPBWR1 (0.67) NPBWR1DGAT1KCNH2CBFBCHEK2
SCHEMBL19970744 0.82 CYP1A2 (0.60) NPBWR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2617470 0.81 CBFB (0.66) NPBWR1CYP3A4DGAT1KCNH2CBFB
SCHEMBL3198884 0.81 MEN1 (0.74) NPBWR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30011996 0.80 SLC2A1 (0.51) NPBWR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21705326 0.80 NPBWR1 (0.67) NPBWR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30011485 0.80 NPBWR1 (0.67) NPBWR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19986735 0.78 CYP1A2 (0.59) NPBWR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24074350 0.78 NPBWR1 (0.59) NPBWR1CYP1A2CYP3A4CYP2C9CYP2C19

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 NPBWR1 4485/4885CYP1A2 2067/4885CYP3A4 460/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS NPBWR1 4485/4885CYP1A2 2067/4885CYP3A4 460/4885

“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.