SCHEMBL19970754

SCHEMBL19970754

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.47
TNKS O95271 1/20 0.45
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
ENPP2 Q13822 2/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
PGGT1B P53609 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATXN2 Q99700 1/20 0.41
IDH1 O75874 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM1A O60341 1/20 0.40
FAAH O00519 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL19970755 0.93 GRIN2B (0.47) GRIN2BTNKSPARP1TNKS2PARP2
SCHEMBL19970791 0.86 ENPP2 (0.54) GRIN2BTNKSPARP1TNKS2PARP2
SCHEMBL19970834 0.84 GRIN2B (0.49) GRIN2BTNKSPARP1TNKS2PARP2
SCHEMBL19970792 0.80 ENPP2 (0.54) GRIN2BTNKSPARP1TNKS2PARP2
SCHEMBL19970770 0.80 KRAS (0.47) GRIN2BTNKSPARP1TNKS2PARP2
SCHEMBL19970877 0.79 LMNA (0.54) MEN1KMT2ASMN1; SMN2CYP2C19KDM4E
SCHEMBL19970870 0.79 FAAH (0.58) FAAHHTT
SCHEMBL19970763 0.79 KIT (0.45) GRIN2BTNKSPARP1TNKS2PARP2
SCHEMBL19970776 0.78 SLC2A1 (0.52) GRIN2BTNKSPARP1TNKS2PARP2
SCHEMBL23828687 0.77 SLC2A1 (0.49) GRIN2BMEN1KMT2AFAAHKDM4E

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 4590/4885TNKS 863/4885PARP1 447/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS GRIN2B 4590/4885TNKS 863/4885PARP1 447/4885

“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.