SCHEMBL19970792

SCHEMBL19970792

O=C(OCc1ccccc1)N1CCN(C(=O)c2ccc3nc(C(c4ccccc4)c4ccccc4)[nH]c3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.54
ATXN2 Q99700 7/20 0.54
GRIN2B Q13224 1/20 0.48
FLT3 P36888 1/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACACB O00763 1/20 0.43
MAPK14 Q16539 1/20 0.42
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL19970791 0.93 ENPP2 (0.54) ENPP2ATXN2GRIN2BFLT3ALDH1A1
SCHEMBL19970755 0.86 GRIN2B (0.47) ENPP2ATXN2GRIN2BSMN1; SMN2NPC1
SCHEMBL20765540 0.84 ENPP2 (0.57) ENPP2ATXN2GRIN2BFLT3ALDH1A1
SCHEMBL19970784 0.83 MGLL (0.59) ENPP2ATXN2GRIN2BFLT3ACACB
SCHEMBL19970754 0.80 GRIN2B (0.47) ENPP2ATXN2GRIN2BALDH1A1SMN1; SMN2
SCHEMBL19970761 0.80 ACACB (0.53) ENPP2ATXN2GRIN2BFLT3ALDH1A1
SCHEMBL19970809 0.78 ACACB (0.52) ENPP2ATXN2GRIN2BALDH1A1HSD17B10
SCHEMBL20765557 0.78 L3MBTL1 (0.58) ENPP2ATXN2FLT3ALDH1A1GAA
SCHEMBL19970787 0.78 STAT3 (0.48) ALDH1A1GAASMN1; SMN2HSD17B10USP2
SCHEMBL19970881 0.78 SIGMAR1 (0.58) USP2NPC1ACACBMAPK14

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 ENPP2 4368/4885ATXN2 4829/4885GRIN2B 4590/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS ENPP2 4368/4885ATXN2 4829/4885GRIN2B 4590/4885

“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.