SCHEMBL4044617

SCHEMBL4044617

O=C1N(c2cc(O)ccc2O)CC(c2ccccc2O)=NN1c1ccccc1Br

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.35
HSP90AA1 P07900 2/20 0.34
AOC1 P19801 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL4040438 0.85 MAOB (0.39) MAOBHSP90AA1MEN1KMT2AATM
SCHEMBL4041245 0.84 MEN1 (0.39) MAOBHSP90AA1MEN1KMT2AATM
SCHEMBL27844393 0.76 PRKCZ (0.31) HSP90AA1MEN1KMT2AATM
SCHEMBL4043960 0.72 CA12 (0.39) HSP90AA1MEN1KMT2A
SCHEMBL4042771 0.69 UGCG (0.46) MEN1KMT2AATM
SCHEMBL4038644 0.68 CA12 (0.40) HSP90AA1MEN1KMT2A
SCHEMBL4044374 0.65 CA12 (0.42) HSP90AA1MEN1KMT2A
SCHEMBL4044542 0.65 PDCD1 (0.39) MEN1KMT2A
SCHEMBL27844378 0.65 MEN1 (0.40) MAOBHSP90AA1MEN1KMT2AATM
SCHEMBL6766920 0.64 CYP2D6 (0.53) MAOBHSP90AA1MEN1KMT2A

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-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP disclosed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US disclosed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP 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-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 MAOB 1856/4885HSP90AA1 4672/4885AOC1 750/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 MAOB 1378/4885HSP90AA1 4850/4885AOC1 592/4885

“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.