SCHEMBL29442372

SCHEMBL29442372

COc1nc2c(c(-c3ccc(F)cc3)c1C#N)Cc1ccccc1-2

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 12/20 0.83
▸ ALDH1A1 P00352 2/20 0.62
▸ GAA P10253 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.52
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GLA P06280 2/20 0.47
▸ S1PR4 O95977 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDR P35968 1/20 0.40

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
SCHEMBL22215766 0.91 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442270 0.91 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22208330 0.90 SQOR (0.67) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442328 0.90 SQOR (0.67) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22215890 0.90 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442349 0.90 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442301 0.90 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442346 0.89 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22208387 0.88 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442282 0.88 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E

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 411/4885GAA 1551/4885

“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