SCHEMBL23647746

SCHEMBL23647746

COc1ccc(C)c2c1NC(C)(C)C(=S)N2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL30006272 1.00 ALDH1A1 (0.31) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL23658650 0.82 ALDH1A1 (0.31) ALDH1A1POLBMAPT
SCHEMBL30005126 0.80 KDM4E (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL23648071 0.80 KDM4E (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL21624387 0.79 PDE7A (0.39) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL21624357 0.79 ALDH1A1 (0.31) ALDH1A1POLBMAPT
SCHEMBL30668457 0.79 PDE7A (0.39) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL30668482 0.79 ALDH1A1 (0.31) ALDH1A1POLBMAPT
SCHEMBL23647801 0.76 — —
SCHEMBL23658659 0.76 — —

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 — — EP disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — WO disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — 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-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 ALDH1A1 1617/4885POLB 2196/4885MAPT 4774/4885

“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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