SCHEMBL24559366

SCHEMBL24559366

O=c1[nH]c(=S)[nH]c2nc(-c3ccc(Br)cc3)n(CC3CC3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.35
GRIN2B Q13224 6/20 0.35
TYMS P04818 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAP3K11 Q16584 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
DHFR P00374 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PSMD14 O00487 1/20 0.33
USP2 O75604 1/20 0.33
PLA2G1B P04054 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL24559451 0.77 MAPT (0.45) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL24559285 0.65 GAA (0.44) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL23202302 0.65 PDE5A (0.48) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL22521739 0.63 XDH (0.73)
SCHEMBL15081806 0.59 ALDH1A1 (0.41) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL15064717 0.59 ALDH1A1 (0.38) ALDH1A1GAAKDM4ELMNA
SCHEMBL721924 0.58 GRIN1 (0.64) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL23392970 0.57 ALDH1A1 (0.39) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL28412369 0.57 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL17673904 0.57 CNR2 (0.46)

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 GRIN1 4277/4885GRIN2B 3826/4885TYMS 1209/4885

“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.