SCHEMBL26581171

SCHEMBL26581171

CC(C)c1ccc(OCc2ccc(CN)cc2)nn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.41
▸ GAA P10253 2/20 0.39
▸ TPSAB1 Q15661 2/20 0.35
▸ PLG P00747 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ABAT P80404 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
SCHEMBL21922352 0.84 GAA (0.53) GAALMNAHTTALDH1A1
SCHEMBL21922388 0.79 ENPP2 (0.42) MAOBGAAALDH1A1
SCHEMBL21923113 0.75 ENPP2 (0.46) GAA
SCHEMBL13548218 0.74 HTT (0.42) HTTALDH1A1
SCHEMBL21923115 0.74 LOX (0.49) GAAALDH1A1
SCHEMBL21923110 0.74 GABRG2 (0.46) MAOB
SCHEMBL21922353 0.71 ENPP2 (0.46) GAA
SCHEMBL21922389 0.70 ENPP2 (0.46) —
SCHEMBL10220140 0.69 NNMT (0.41) GAALMNAHTTALDH1A1
SCHEMBL2243975 0.69 MAOB (0.45) MAOBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331693-A1 GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2023-10-19 — — US disclosed
US-20230331693-A1 GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2023-10-19 — — US disclosed
WO-2023201282-A1 NOVEL GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-19 — — WO 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-20230331693-A1 GSPT1 COMPOUNDS AND METHODS OF USE OF THE NOVEL COMPOUNDS GSPT1, GSS, GSPT2 MAOB 3020/4885GAA 436/4885TPSAB1 103/4885

“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.

Send feedback