SCHEMBL19970809

SCHEMBL19970809

O=C(OCc1ccccc1)N1CCN(C(=O)c2ccc3nc(-c4cccnc4)[nH]c3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.52
MGLL Q99685 2/20 0.51
ENPP2 Q13822 1/20 0.51
ATXN2 Q99700 1/20 0.51
FHIT P49789 1/20 0.50
CHEK2 O96017 4/20 0.47
HTR2B P41595 1/20 0.47
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRIN2B Q13224 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL19970808 0.93 ENPP2 (0.51) ACACBMGLLENPP2ATXN2HTR2B
SCHEMBL19970784 0.92 MGLL (0.59) ACACBMGLLENPP2ATXN2CHEK2
SCHEMBL19986737 0.87 ACACB (0.51) ACACBMGLLFHITCHEK2HTR2B
SCHEMBL19970764 0.87 AURKA (0.47) CHEK2HPGDPOLBMAPTALDH1A1
SCHEMBL19970783 0.84 ENPP2 (0.56) ACACBMGLLENPP2ATXN2CHEK2
SCHEMBL19970761 0.84 ACACB (0.53) ACACBMGLLENPP2ATXN2CHEK2
SCHEMBL19970763 0.82 KIT (0.45) ENPP2HPGDMAPTALDH1A1GRIN2B
SCHEMBL20765540 0.81 ENPP2 (0.57) ACACBENPP2ATXN2HPGDPOLB
SCHEMBL19986744 0.78 MGLL (0.57) ACACBMGLLCHEK2HPGDBCHE
SCHEMBL19970792 0.78 ENPP2 (0.54) ACACBMGLLENPP2ATXN2ALDH1A1

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 6 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
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 ACACB 4387/4885MGLL 2286/4885ENPP2 4368/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS ACACB 4387/4885MGLL 2286/4885ENPP2 4368/4885

“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.