SCHEMBL19982656

SCHEMBL19982656

CCOP(=O)(Cc1cccc(COc2ccccc2CC2CCN(Cc3ccc4nc(-c5cccc(C(F)(F)F)c5)[nH]c4c3)CC2)c1)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.42
SIGMAR1 Q99720 5/20 0.42
DRD3 P35462 3/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CNR2 P34972 5/20 0.41
CNR1 P21554 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
SLC2A1 P11166 1/20 0.39
CHEK2 O96017 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL19970804 0.96 CNR2 (0.40) DRD4SIGMAR1DRD3TMEM97CNR2
SCHEMBL19982564 0.94 SLC2A1 (0.42) DRD4SIGMAR1DRD3TMEM97BCHE
SCHEMBL19982583 0.92 SLC2A1 (0.42) DRD4SIGMAR1DRD3TMEM97CNR2
SCHEMBL19986770 0.92 BCHE (0.45) BCHEACHECHEK2
SCHEMBL19970747 0.91 DRD4 (0.45) DRD4SIGMAR1DRD3TMEM97CNR2
SCHEMBL19970810 0.90 CHEK2 (0.41) BCHEACHESLC2A1CHEK2AKT1
SCHEMBL19970723 0.89 CHEK2 (0.43) BCHEACHECHEK2
SCHEMBL19982610 0.88 SLC2A1 (0.42) DRD4SIGMAR1DRD3TMEM97CNR2
SCHEMBL19982657 0.88 DRD4 (0.42) DRD4SIGMAR1DRD3TMEM97CNR2
SCHEMBL19970805 0.88 CYP1A2 (0.41) BCHEACHECHEK2CYP1A2CYP3A4

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 5 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
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 (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 DRD4 3057/4885SIGMAR1 2624/4885DRD3 2942/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS DRD4 3057/4885SIGMAR1 2624/4885DRD3 2942/4885

“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.