SCHEMBL29442355

SCHEMBL29442355

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

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 11/20 0.77
▸ KDM4E B2RXH2 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ GAA P10253 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ ADORA2A P29274 6/20 0.59
▸ ADORA1 P30542 6/20 0.59
▸ IKBKB O14920 1/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL22208218 1.00 SQOR (0.77) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL29442277 0.88 SQOR (0.84) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22208259 0.88 SQOR (0.84) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL13514399 0.88 SQOR (0.84) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22215650 0.87 SQOR (1.00) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL29442265 0.84 SQOR (0.77) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22208292 0.84 SQOR (0.77) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL29442436 0.81 SQOR (0.86) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22208234 0.81 SQOR (1.00) SQORKDM4EALDH1A1GAAMAPT
SCHEMBL22208347 0.81 SQOR (0.86) SQORKDM4EALDH1A1GAAMAPT

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 316/4885ALDH1A1 411/4885

“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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