SCHEMBL24559451

SCHEMBL24559451

O=c1[nH]c(=S)[nH]c2nc(-c3cccc([N+](=O)[O-])c3)n(CC3CC3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 3/20 0.44
APOBEC3G Q9HC16 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GFER P55789 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TYMP P19971 1/20 0.40
GUSB P08236 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
VCP P55072 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL24559366 0.77 GRIN1 (0.35) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL24559449 0.69 XDH (0.64) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL15168007 0.65 GRM2 (0.50) MAPTALDH1A1LMNASMN1; SMN2VCP
SCHEMBL11167134 0.63 L3MBTL1 (0.51) MAPTALDH1A1GAALMNAAPOBEC3G
SCHEMBL2076125 0.62 VCP (0.42) MAPTALDH1A1GAALMNAAPOBEC3G
SCHEMBL11735659 0.62 DRD2 (0.49) MAPTALDH1A1GAALMNAAPOBEC3G
SCHEMBL11736505 0.62 MAPT (0.64) MAPTALDH1A1LMNAGFERSMN1; SMN2
SCHEMBL8233051 0.61 ALDH1A1 (0.48) MAPTALDH1A1GAALMNAAPOBEC3G
SCHEMBL11165053 0.61 L3MBTL1 (0.52) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL2578509 0.61 KEAP1 (0.50) MAPTALDH1A1KDM4ESMN1; SMN2MEN1

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 4393/4885ALDH1A1 4146/4885GAA 2742/4885

“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.