SCHEMBL22208241

SCHEMBL22208241

COc1ccc(-c2cc(-c3ncccc3C)nc(OC)c2C#N)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 14/20 0.81
▸ KDM4E B2RXH2 6/20 0.50
▸ NPSR1 Q6W5P4 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ HPGD P15428 5/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MAPT P10636 3/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ GLA P06280 2/20 0.48
▸ GAA P10253 3/20 0.47
▸ MITF O75030 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PAX8 Q06710 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
SCHEMBL29442348 1.00 SQOR (0.81) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208311 0.90 SQOR (1.00) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208263 0.90 SQOR (1.00) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208247 0.85 SQOR (0.72) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL29442364 0.82 SQOR (0.80) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL29442489 0.80 SQOR (0.64) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208421 0.80 SQOR (0.64) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208220 0.79 SQOR (0.81) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208276 0.79 SQOR (0.81) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL29442396 0.79 SQOR (0.81) SQORKDM4ENPSR1ALDH1A1HPGD

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 1/4885KDM4E 316/4885NPSR1 525/4885

“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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