SCHEMBL29442305

SCHEMBL29442305

CCOc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)Cc1ccccc1-2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 4/20 0.81
▸ KDM4E B2RXH2 8/20 0.67
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPK1 P28482 5/20 0.49
▸ LMNA P02545 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ GAA P10253 5/20 0.49
▸ MAPT P10636 4/20 0.45
▸ GLA P06280 3/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ ATM Q13315 3/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL29442274 0.91 SQOR (0.84) SQORKDM4EALDH1A1MAPK1LMNA
SCHEMBL22215895 0.91 SQOR (0.84) SQORKDM4EALDH1A1MAPK1LMNA
SCHEMBL29442421 0.91 SQOR (0.83) SQORKDM4EALDH1A1MAPK1LMNA
SCHEMBL29442282 0.90 SQOR (1.00) SQORKDM4EALDH1A1MAPK1LMNA
SCHEMBL22208387 0.90 SQOR (1.00) SQORKDM4EALDH1A1MAPK1LMNA
SCHEMBL22208248 0.89 SQOR (0.80) SQORKDM4EALDH1A1MAPK1LMNA
SCHEMBL29442267 0.89 SQOR (0.80) SQORKDM4EALDH1A1MAPK1LMNA
SCHEMBL29442346 0.88 SQOR (0.83) SQORKDM4EALDH1A1MAPK1LMNA
SCHEMBL22215616 0.84 SQOR (0.73) SQORKDM4EALDH1A1MAPK1LMNA
SCHEMBL29442260 0.84 SQOR (0.73) SQORKDM4EALDH1A1MAPK1LMNA

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 1/4885KDM4E 316/4885ALDH1A1 411/4885

“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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