SCHEMBL31104479

SCHEMBL31104479

COc1cc(P(C)(C)=O)ncc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ PIN1 Q13526 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 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
SCHEMBL29212313 0.79 PKM (0.40) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL14333666 0.77 ALDH1A1 (0.46) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL30399809 0.77 ALDH1A1 (0.46) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL4719832 0.77 ALDH1A1 (0.46) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL1100650 0.76 PIN1 (0.50) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL221671 0.76 ALDH1A1 (0.44) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL29811740 0.76 PIN1 (0.50) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL17222837 0.76 ALDH1A1 (0.44) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL31104497 0.76 ALDH1A1 (0.44) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL29179660 0.76 HTT (0.45) PKMALDH1A1TDP1PIN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676602-A1 COMPOUNDS TARGETING MUTATIONS IN P53 AND USES THEREOF Merck Sharp & Dohme LLC (US) 2026-01-14 — — EP disclosed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 — — US disclosed
WO-2024187153-A1 COMPOUNDS TARGETING MUTATIONS IN P53 AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-09-12 — — 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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 PKM 2717/4885ALDH1A1 2527/4885TDP1 412/4885

“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.

Send feedback