SCHEMBL22208231

SCHEMBL22208231

COc1nc(-c2cccc(Cl)c2)cc(-c2ccc(F)cc2)c1C#N

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 14/20 0.77
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL29442339 1.00 SQOR (0.77) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL29442357 0.87 SQOR (1.00) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL22208254 0.87 SQOR (1.00) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL22215864 0.86 SQOR (1.00) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL22208375 0.86 SQOR (0.77) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL29442341 0.86 SQOR (0.77) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL29442279 0.82 SQOR (0.78) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL22208274 0.82 SQOR (0.78) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL22208275 0.81 SQOR (0.65) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL29442402 0.81 SQOR (0.65) SQORADORA2AADORA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO claimed
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — US disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO 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 1/4885ADORA2A 2429/4885ADORA1 1478/4885

“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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