SCHEMBL22000266

SCHEMBL22000266

O=C1[C@@H]2[C@@H](C=CC(CO)N2Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PNKP Q96T60 20/20 0.69

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
SCHEMBL22000598 0.91 PNKP (0.60) PNKP
SCHEMBL22000246 0.89 PNKP (0.66) PNKP
SCHEMBL22000559 0.85 PNKP (0.72) PNKP
SCHEMBL22000259 0.84 PNKP (0.63) PNKP
SCHEMBL22683134 0.82 PNKP (1.00) PNKP
SCHEMBL22683117 0.82 PNKP (1.00) PNKP
SCHEMBL17603648 0.82 PNKP (1.00) PNKP
SCHEMBL1703154 0.81 PNKP (0.88) PNKP
SCHEMBL22000586 0.78 PNKP (0.74) PNKP
SCHEMBL22000575 0.78 PNKP (1.00) PNKP

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-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-05-10 US disclosed
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-05-14 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 (2 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-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase PNKP, PPM1A, PPM1B PNKP 1/4885
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE PNKP, PPM1A, PPM1B PNKP 1/4885

“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.