SCHEMBL22208274

SCHEMBL22208274

COc1nc(-c2ccccc2Cl)cc(-c2ccc(F)cc2)c1C#N

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 14/20 0.78
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ADORA2A P29274 2/20 0.56
▸ ADORA1 P30542 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL29442279 1.00 SQOR (0.78) SQORL3MBTL1ADORA2AADORA1KDM4E
SCHEMBL29442359 0.88 SQOR (1.00) SQORL3MBTL1ADORA2AADORA1KDM4E
SCHEMBL22208456 0.88 SQOR (0.81) SQORL3MBTL1ADORA2AADORA1KDM4E
SCHEMBL29442258 0.88 SQOR (0.81) SQORL3MBTL1ADORA2AADORA1KDM4E
SCHEMBL22208318 0.88 SQOR (1.00) SQORL3MBTL1ADORA2AADORA1KDM4E
SCHEMBL22208210 0.85 SQOR (0.78) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL29442402 0.85 SQOR (0.65) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL22208275 0.85 SQOR (0.65) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL22215864 0.85 SQOR (1.00) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL22208235 0.84 SQOR (0.78) SQORKDM4EALDH1A1HPGDNPSR1

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 3 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 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 1/4885L3MBTL1 2675/4885ADORA2A 2429/4885

“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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