SCHEMBL21978377

SCHEMBL21978377

CN(NC(=O)c1ccc(OCc2ccccc2)cc1)C(N)=S

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.58
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
MAOB P27338 1/20 0.55
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
EGFR P00533 3/20 0.53
SCN2A Q99250 1/20 0.53
CASP3 P42574 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51

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
SCHEMBL29032435 0.80 PARP10 (0.66) PARP10ALDH1A1MAPTHDAC3HDAC1
SCHEMBL863916 0.78 ALDH1A1 (0.88) PARP10ALDH1A1MAPTHDAC3HDAC1
SCHEMBL28761131 0.77 ALDH1A1 (0.66) PARP10ALDH1A1MAPTHDAC3HDAC1
SCHEMBL1056460 0.77 MRGPRX4 (0.74) PARP10ALDH1A1MAPTHDAC3HDAC1
SCHEMBL21978380 0.75 ALDH1A1 (0.63) PARP10ALDH1A1MAPTHDAC3HDAC1
SCHEMBL119689 0.75 PARP10 (1.00) PARP10MAOBNR4A1NR4A2NR4A3
SCHEMBL6890765 0.75 PARP10 (0.70) PARP10MAPTMAOBNR4A1NR4A2
SCHEMBL21568053 0.74 ALOX5 (0.76) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL31326509 0.74 MAOB (0.65) PARP10MAOBNR4A1NR4A2NR4A3
SCHEMBL5971699 0.74 NR4A1 (0.68) PARP10ALDH1A1MAPTHDAC3HDAC1

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-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2023-11-14 US disclosed
US-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2021-08-19 US disclosed
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-05-28 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 (3 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-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 PARP10 1499/4885ALDH1A1 4739/4885MAPT 114/4885
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 PARP10 1499/4885ALDH1A1 4739/4885MAPT 114/4885
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 PARP10 1499/4885ALDH1A1 4739/4885MAPT 114/4885

“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.