SCHEMBL29442275

SCHEMBL29442275

COc1nc(-c2ccccc2[N+](=O)[O-])cc(-c2ccc(F)cc2)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 14/20 0.70
▸ IKBKB O14920 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL22208321 1.00 SQOR (0.70) SQORIKBKBKDM4EALDH1A1HPGD
SCHEMBL22208318 0.83 SQOR (1.00) SQORKDM4EALDH1A1HPGDNPSR1
SCHEMBL29442359 0.83 SQOR (1.00) SQORKDM4EALDH1A1HPGDNPSR1
SCHEMBL29442258 0.83 SQOR (0.81) SQORKDM4EALDH1A1HPGDNPSR1
SCHEMBL22208456 0.83 SQOR (0.81) SQORKDM4EALDH1A1HPGDNPSR1
SCHEMBL22208274 0.81 SQOR (0.78) SQORKDM4EALDH1A1HPGDNPSR1
SCHEMBL29442279 0.81 SQOR (0.78) SQORKDM4EALDH1A1HPGDNPSR1
SCHEMBL22208210 0.81 SQOR (0.78) SQORKDM4EALDH1A1HPGDNPSR1
SCHEMBL22215864 0.80 SQOR (1.00) SQORKDM4EALDH1A1HPGDNPSR1
SCHEMBL22208298 0.78 SQOR (0.82) 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 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 1/4885IKBKB 241/4885KDM4E 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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