SCHEMBL29802575

SCHEMBL29802575

CC(C)(CNc1nc(Cl)ncc1[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.49
STK17B O94768 1/20 0.49
PIN1 Q13526 13/20 0.44
LATS1 O95835 1/20 0.44
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
AAK1 Q2M2I8 2/20 0.36

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
SCHEMBL19665707 0.86 PIN1 (0.51) STK17ASTK17BPIN1MAPTL3MBTL1
SCHEMBL12968578 0.85 STK17A (0.62) STK17ASTK17BPIN1LATS1MAPT
SCHEMBL29802454 0.84 LATS1 (0.42) STK17ALATS1MAPTL3MBTL1
SCHEMBL29802555 0.84 STK17A (0.72) STK17ASTK17BPIN1L3MBTL1
SCHEMBL29802473 0.83 STK17B (0.46) STK17ASTK17BPIN1MAPTL3MBTL1
SCHEMBL28644736 0.83 STK17B (0.46) STK17ASTK17BPIN1MAPTL3MBTL1
SCHEMBL28639498 0.82 PIN1 (0.44) STK17ASTK17BPIN1MAPTL3MBTL1
SCHEMBL4138613 0.81 PIN1 (0.53) STK17APIN1MAPTL3MBTL1
SCHEMBL29802583 0.81 STK17A (0.49) STK17ASTK17BPIN1MAPTL3MBTL1
SCHEMBL5095919 0.80 PRKCQ (0.49) STK17ASTK17B

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
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 EP disclosed
US-11344554-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2022-05-31 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-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP STK17A 3295/4885STK17B 3629/4885PIN1 3360/4885

“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.