SCHEMBL24559408

SCHEMBL24559408

Cn1c(=O)c2c(ncn2Cc2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3O)cc2)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 4/20 0.50
▸ RXFP1 Q9HBX9 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ ABCC8 Q09428 1/20 0.48
▸ KCNJ11 Q14654 1/20 0.48
▸ HTT P42858 3/20 0.46
▸ UBE2N P61088 2/20 0.46
▸ GLA P06280 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 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
SCHEMBL24559334 0.82 MAPT (0.55) ADORA2BRXFP1SMN1; SMN2LMNAMAPK1
SCHEMBL24559308 0.77 ADORA2B (0.53) ADORA2BRXFP1SMN1; SMN2LMNAMAPK1
SCHEMBL24559333 0.75 MAPT (0.55) LMNAHTTKMT2AALDH1A1MAPT
SCHEMBL24559155 0.73 LMNA (0.57) ADORA2BRXFP1SMN1; SMN2LMNAMAPK1
SCHEMBL17750785 0.72 LMNA (0.89) ADORA2BRXFP1SMN1; SMN2LMNAMAPK1
SCHEMBL24559158 0.72 LMNA (0.64) ADORA2BRXFP1SMN1; SMN2LMNAMAPK1
SCHEMBL24559245 0.71 LMNA (0.60) ADORA2BRXFP1SMN1; SMN2LMNAMAPK1
SCHEMBL29256880 0.71 ADORA2B (0.74) ADORA2BRXFP1SMN1; SMN2LMNAMAPK1
SCHEMBL24559303 0.71 LMNA (0.59) ADORA2BRXFP1SMN1; SMN2LMNAMAPK1
SCHEMBL9296212 0.70 ADORA2B (0.76) ADORA2BRXFP1SMN1; SMN2LMNAMAPK1

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-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-30 — — 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-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF PARG, PARP15, PLG ADORA2B 2231/4885RXFP1 2773/4885SMN1; SMN2 4491/4885

“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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