SCHEMBL19970834

SCHEMBL19970834

O=C(OCc1ccccc1)N1CCN(Cc2ccc3[nH]c(-c4ccccc4)nc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.49
PARP1 P09874 4/20 0.47
PARP2 Q9UGN5 2/20 0.47
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
ENPP2 Q13822 2/20 0.46
PRMT5 O14744 1/20 0.45
CHEK2 O96017 2/20 0.45
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PGGT1B P53609 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL19970835 0.92 BCHE (0.53) GRIN2BPARP1PARP2TNKSTNKS2
SCHEMBL19970763 0.92 KIT (0.45) GRIN2BPARP1PARP2TNKSTNKS2
SCHEMBL19970776 0.91 SLC2A1 (0.52) GRIN2BPARP1PARP2TNKSTNKS2
SCHEMBL23828687 0.90 SLC2A1 (0.49) GRIN2BMEN1KMT2A
SCHEMBL19970770 0.88 KRAS (0.47) GRIN2BPARP1PARP2TNKSTNKS2
SCHEMBL19970783 0.85 ENPP2 (0.56) GRIN2BENPP2PRMT5CHEK2NPC1
SCHEMBL19970764 0.85 AURKA (0.47) GRIN2BBCHEACHECHEK2FNTA
SCHEMBL19970777 0.84 SLC2A1 (0.58) BCHEACHEENPP2CHEK2HDAC6
SCHEMBL19970754 0.84 GRIN2B (0.47) GRIN2BPARP1PARP2TNKSTNKS2
SCHEMBL19986753 0.82 SLC2A1 (0.54) BCHEACHECHEK2HDAC6MEN1

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-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
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 GRIN2B 4590/4885PARP1 447/4885PARP2 1011/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS GRIN2B 4590/4885PARP1 447/4885PARP2 1011/4885

“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.