SCHEMBL29442309

SCHEMBL29442309

CCOc1nc2c(c(-c3cccc(Br)c3)c1C#N)Cc1ccccc1-2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 4/20 0.71
▸ KDM4E B2RXH2 7/20 0.64
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPK1 P28482 4/20 0.56
▸ GAA P10253 3/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPT P10636 3/20 0.43
▸ GLA P06280 2/20 0.42
▸ HPGD P15428 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 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
SCHEMBL22215618 1.00 SQOR (0.71) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442313 0.89 SQOR (0.78) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22215895 0.89 SQOR (0.84) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442274 0.89 SQOR (0.84) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442421 0.84 SQOR (0.83) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22208387 0.83 SQOR (1.00) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442282 0.83 SQOR (1.00) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442305 0.83 SQOR (0.81) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22208248 0.82 SQOR (0.80) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442267 0.82 SQOR (0.80) SQORKDM4EALDH1A1MAPK1GAA

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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