SCHEMBL31301253

SCHEMBL31301253

NC(=O)c1noc(C(N)=O)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.53
▸ ADORA2A P29274 1/20 0.47
▸ IKBKB O14920 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAP2K3 P46734 1/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ IP6K1 Q92551 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ DUSP3 P51452 3/20 0.39
▸ MAP2 P11137 1/20 0.39
▸ BCAT2 O15382 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
SCHEMBL14072057 0.84 BRD4 (0.59) PTPN1ADORA2AIKBKBMEN1GAA
SCHEMBL16485987 0.84 MEN1 (0.55) PTPN1ADORA2AMEN1GAAKMT2A
SCHEMBL21932437 0.83 MEN1 (0.58) PTPN1ADORA2AIKBKBMEN1GAA
SCHEMBL6170435 0.74 PTGS2 (0.66) PTGS1
SCHEMBL21932440 0.72 PTPN1 (0.54) PTPN1ADORA2AIKBKBMEN1GAA
SCHEMBL17292696 0.72 MEN1 (0.52) PTPN1ADORA2AIKBKBMEN1GAA
SCHEMBL10432303 0.71 PTPN1 (0.67) PTPN1IKBKBBRD4TDO2KDM4E
SCHEMBL2567880 0.69 PTPN1 (1.00) PTPN1IP6K1HSD17B10ALDH1A1DUSP3
SCHEMBL18794919 0.69 PTGS2 (0.55) PTPN1MEN1GAAKMT2AKDM4E
SCHEMBL9185123 0.69 MEN1 (0.50) ADORA2AIKBKBMEN1GAAKMT2A

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-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-01-02 — — 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-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CGAS, TDP1, CYP11B2 PTPN1 3806/4885ADORA2A 778/4885IKBKB 2616/4885

“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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