SCHEMBL29442265

SCHEMBL29442265

COc1nc(-c2ccccc2)cc(-c2cccc(O)c2)c1C#N

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 13/20 0.77
▸ KDM4E B2RXH2 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ ADORA1 P30542 5/20 0.53
▸ ADORA2A P29274 4/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ PIM1 P11309 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ADORA2B P29275 1/20 0.50

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
SCHEMBL22208292 1.00 SQOR (0.77) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL27175578 0.89 SQOR (0.60) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL22208252 0.88 SQOR (0.84) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL29442393 0.88 SQOR (0.84) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL22215650 0.87 SQOR (1.00) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL22208375 0.85 SQOR (0.77) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL29442341 0.85 SQOR (0.77) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL29442355 0.84 SQOR (0.77) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL22208218 0.84 SQOR (0.77) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL22208219 0.82 SQOR (0.77) SQORKDM4ENPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — US claimed
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — 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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure SQOR, QSOX1, KEAP1 SQOR 1/4885KDM4E 316/4885NPC1 3250/4885

“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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