SCHEMBL24559334

SCHEMBL24559334

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ NCOA3 Q9Y6Q9 3/20 0.55
▸ MITF O75030 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ CISD1 Q9NZ45 2/20 0.55
▸ MAOA P21397 1/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ ADORA2B P29275 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ AKR1B1 P15121 4/20 0.51
▸ PTPN1 P18031 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MYC P01106 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
SCHEMBL24559333 0.93 MAPT (0.55) MAPTNCOA3MITFRAB9ACISD1
SCHEMBL24559308 0.92 ADORA2B (0.53) MAPTKMT2AKDM4EHTTALDH1A1
SCHEMBL24559280 0.85 PTPN12 (0.52) MAPTKMT2AKDM4EALDH1A1AKR1B1
SCHEMBL24559408 0.82 ADORA2B (0.50) MAPTKMT2AHTTALDH1A1ADORA2B
SCHEMBL24559155 0.78 LMNA (0.57) MAPTRAB9AHTTALDH1A1ADORA2B
SCHEMBL24559443 0.77 MAPT (0.54) MAPTNCOA3MITFRAB9ACISD1
SCHEMBL12008740 0.76 MYC (0.83) MAPTNCOA3MITFRAB9ACISD1
SCHEMBL12008711 0.75 CISD1 (0.81) MAPTNCOA3MITFRAB9ACISD1
SCHEMBL24559158 0.75 LMNA (0.64) MAPTHTTALDH1A1ADORA2BSMN1; SMN2
SCHEMBL12008748 0.74 CISD1 (0.79) MAPTNCOA3MITFRAB9ACISD1

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 MAPT 4393/4885NCOA3 2039/4885MITF 3801/4885

“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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