SCHEMBL20777907

SCHEMBL20777907

O=C(Nc1ccc2c(c1)C(=O)N(O)C(=O)C2)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.58
▸ ACE2 Q9BYF1 1/20 0.53
▸ RNASEH1 O60930 1/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ TP53 P04637 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CASP3 P42574 2/20 0.48
▸ KCNK3 O14649 1/20 0.48
▸ KCNK9 Q9NPC2 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47

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
SCHEMBL25970319 0.76 KDM4E (0.74) ACHEACE2NPC1RAB9ATP53
SCHEMBL3363253 0.75 KDM4E (0.82) ACE2NPC1RAB9ATP53GAA
SCHEMBL8744889 0.74 NPC1 (0.71) ACHENPC1RAB9ATP53GAA
SCHEMBL2175933 0.73 MEN1 (0.74) ACE2NPC1RAB9ATP53GAA
SCHEMBL19380277 0.72 ACE2 (0.51) ACE2NPC1RAB9AKDM4ECASP3
SCHEMBL6306359 0.72 RAB9A (0.72) ACHEACE2NPC1RAB9ATP53
SCHEMBL6265202 0.72 CASP3 (0.58) ACHEACE2NPC1RAB9ATP53
SCHEMBL23511723 0.72 RNASEH1 (0.62) RNASEH1GAASMN1; SMN2KDM4EMEN1
SCHEMBL25970373 0.71 ACE2 (0.97) ACE2NPC1RAB9AGAAHTT
SCHEMBL4289564 0.71 ACE2 (0.97) ACE2NPC1RAB9AGAAHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070165-A1 N-HYDROXYISOQUINOLINEDIONE INHIBITORS OF HBV REPLICATION SAINT LOUIS UNIVERSITY (US) 2019-03-07 — — US 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 (1 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-20190070165-A1 N-HYDROXYISOQUINOLINEDIONE INHIBITORS OF HBV REPLICATION HCCS, HAVCR2, HDGF ACHE 4698/4885ACE2 1397/4885RNASEH1 1625/4885

“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.

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