SCHEMBL4042548

SCHEMBL4042548

COc1cccc(/C=C/C(=O)c2ccccn2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.74
MAPT P10636 3/20 0.74
RAB9A P51151 3/20 0.74
KDM4E B2RXH2 2/20 0.74
PKM P14618 2/20 0.74
MEN1 O00255 1/20 0.74
ALDH1A1 P00352 1/20 0.74
KMT2A Q03164 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
BCHE P06276 1/20 0.69
KRAS P01116 1/20 0.65
LMNA P02545 2/20 0.65
CYP1A2 P05177 5/20 0.64
CYP1A1 P04798 4/20 0.64
CYP1B1 Q16678 4/20 0.64
CYP2D6 P10635 4/20 0.64
CYP3A4 P08684 2/20 0.64
MAOB P27338 5/20 0.61
MAOA P21397 2/20 0.61
ABCG2 Q9UNQ0 2/20 0.57

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
SCHEMBL4041794 1.00 NPC1 (0.74) NPC1MAPTRAB9AKDM4EPKM
SCHEMBL4804215 0.85 MAPT (1.00) NPC1MAPTRAB9AKDM4EPKM
SCHEMBL29870513 0.85 MAPT (1.00) NPC1MAPTRAB9AKDM4EPKM
SCHEMBL4804208 0.85 MAPT (1.00) NPC1MAPTRAB9AKDM4EPKM
SCHEMBL4189525 0.85 KDM4E (0.70) NPC1MAPTRAB9AKDM4EPKM
SCHEMBL4172319 0.83 NPC1 (0.72) NPC1MAPTRAB9AKDM4EPKM
SCHEMBL9227613 0.82 NPC1 (0.70) NPC1MAPTRAB9AKDM4EPKM
SCHEMBL9227606 0.82 NPC1 (0.70) NPC1MAPTRAB9AKDM4EPKM
SCHEMBL8987299 0.82 BCHE (1.00) MAPTMEN1ALDH1A1KMT2ABCHE
SCHEMBL8987297 0.82 BCHE (1.00) MAPTMEN1ALDH1A1KMT2ABCHE

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 4 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 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 NPC1 2494/4885MAPT 4269/4885RAB9A 4582/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 NPC1 2506/4885MAPT 3873/4885RAB9A 4719/4885

“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.