SCHEMBL22215646

SCHEMBL22215646

COc1ccc(-c2cc(-c3cccs3)nc(OC)c2C#N)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.82
▸ HPGD P15428 7/20 0.82
▸ KDM4E B2RXH2 6/20 0.82
▸ NPSR1 Q6W5P4 4/20 0.82
▸ TDP1 Q9NUW8 1/20 0.82
▸ MAPT P10636 5/20 0.75
▸ GAA P10253 3/20 0.75
▸ L3MBTL1 Q9Y468 2/20 0.75
▸ GLA P06280 2/20 0.75
▸ SQOR Q9Y6N5 10/20 0.62
▸ LMNA P02545 2/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ PIM1 P11309 2/20 0.60
▸ ADORA2A P29274 2/20 0.56
▸ ADORA1 P30542 2/20 0.56
▸ RXFP1 Q9HBX9 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ USP2 O75604 1/20 0.51

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
SCHEMBL22215730 0.90 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL22215651 0.89 KDM4E (0.80) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL29442266 0.89 ALDH1A1 (0.80) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL6253649 0.88 ADORA2A (0.74) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL22215727 0.87 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL22215728 0.86 KDM4E (1.00) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL29442368 0.82 KDM4E (0.70) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL3590231 0.81 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL3597920 0.80 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL13514245 0.80 KDM4E (0.66) ALDH1A1HPGDKDM4ENPSR1TDP1

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 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

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 ALDH1A1 411/4885HPGD 62/4885KDM4E 316/4885

“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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