SCHEMBL4041582

SCHEMBL4041582

COc1ccc(OC)c(N2CC(c3ccccc3OC)=NN(c3ccccc3Br)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 9/20 0.41
MEN1 O00255 7/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
FADS1 O60427 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALOX15 P16050 1/20 0.37
PDE5A O76074 1/20 0.37
VDR P11473 1/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 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
SCHEMBL4043651 0.88 L3MBTL1 (0.47) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL4042771 0.84 UGCG (0.46) KMT2AMEN1PDCD1CD274
SCHEMBL4042219 0.83 UGCG (0.46) KMT2AMEN1PDCD1CD274PDE5A
SCHEMBL4043112 0.80 CD274 (0.58) KMT2AMEN1PDCD1CD274ALDH1A1
SCHEMBL4044542 0.79 PDCD1 (0.39) MAPTLMNAKMT2AMEN1PDCD1
SCHEMBL27580434 0.78 MAPT (0.47) L3MBTL1MAPTLMNAKMT2AMEN1
SCHEMBL4050443 0.76 PDCD1 (0.48) MAPTKMT2AMEN1PDCD1CD274
SCHEMBL4040485 0.76 PDCD1 (0.42) L3MBTL1LMNAKMT2AMEN1TDP1
SCHEMBL4039858 0.70 UGCG (0.46) L3MBTL1MAPTLMNATDP1PDCD1
SCHEMBL4043960 0.70 CA12 (0.39) L3MBTL1MAPTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069022-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN Henkel AG & Co. KGaA (DE) 2009-06-17 EP claimed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP claimed
WO-2008074578-A2 AGENT FOR DYEING FIBERS COMPRISING KERATIN HENKEL AG & CO. KGAA (DE) 2008-06-26 WO claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
EP-2081543-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S Henkel AG & Co. KGaA (DE) 2009-07-29 EP disclosed
EP-2051689-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) Henkel AG & Co. KGaA (DE) 2009-04-29 EP disclosed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP disclosed
WO-2009027237-A2 KIT FOR THE PROVISION OF COLORANTS HENKEL AG & CO. KGAA (DE) 2009-03-05 WO disclosed
WO-2008095558-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S HENKEL AG & CO. KGAA (DE) 2008-08-14 WO disclosed
WO-2008019986-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) HENKEL AG & CO. KGAA (DE) 2008-02-21 WO 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 L3MBTL1 3753/4885MAPT 4269/4885LMNA 2726/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 L3MBTL1 4350/4885MAPT 3873/4885LMNA 2181/4885

“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.