SCHEMBL19982567

SCHEMBL19982567

COC(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CHEK2 O96017 2/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
NPBWR1 P48145 1/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL19986735 0.87 CYP1A2 (0.59) KDM4EALDH1A1CHEK2CYP1A2CYP3A4
SCHEMBL19982668 0.87 CHEK2 (0.67) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL19970739 0.86 CYP1A2 (0.60) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL18229484 0.85 HDAC6 (0.71) CHEK2HDAC6HDAC3HDAC1HDAC2
SCHEMBL2617479 0.83 KDM4E (0.71) KDM4EALDH1A1LMNACHEK2MMP2
SCHEMBL20982471 0.82 MMP2 (0.78) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL14049903 0.81 HDAC6 (0.57) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL17950878 0.80 CHEK2 (0.69) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL9130725 0.79 HDAC6 (0.74) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL8624640 0.79 PARP1 (0.73) PIN1PARP1PKN1PKN2

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-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION UNIVERSITE D'ORLEANS (FR) 2021-09-23 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KDM4E 1873/4885ALDH1A1 1822/4885LMNA 614/4885

“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.