SCHEMBL29442297

SCHEMBL29442297

COc1cccc(-c2c(C#N)c(OC)nc3c2Cc2ccccc2-3)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 5/20 0.80
▸ ALDH1A1 P00352 3/20 0.63
▸ MAPK1 P28482 3/20 0.63
▸ GAA P10253 2/20 0.63
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ATM Q13315 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ S1PR4 O95977 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ ADORA2A P29274 4/20 0.47
▸ ADORA1 P30542 4/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ TP53 P04637 2/20 0.45

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
SCHEMBL22208240 1.00 SQOR (0.80) SQORALDH1A1MAPK1GAAKDM4E
SCHEMBL29442270 0.89 SQOR (1.00) SQORALDH1A1MAPK1GAAKDM4E
SCHEMBL22215766 0.89 SQOR (1.00) SQORALDH1A1MAPK1GAAKDM4E
SCHEMBL29442313 0.88 SQOR (0.78) SQORALDH1A1MAPK1GAAKDM4E
SCHEMBL29442301 0.88 SQOR (0.85) SQORALDH1A1MAPK1GAAKDM4E
SCHEMBL22215890 0.84 SQOR (0.85) SQORALDH1A1MAPK1GAAKDM4E
SCHEMBL29442349 0.84 SQOR (0.85) SQORALDH1A1MAPK1GAAKDM4E
SCHEMBL29442372 0.83 SQOR (0.83) SQORALDH1A1MAPK1GAAKDM4E
SCHEMBL29442346 0.83 SQOR (0.83) SQORALDH1A1MAPK1GAAKDM4E
SCHEMBL22208217 0.82 SQOR (0.81) SQORALDH1A1MAPK1GAAKDM4E

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 1/4885ALDH1A1 411/4885MAPK1 1361/4885

“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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