SCHEMBL4766855

SCHEMBL4766855

CCOC(=O)c1ccnc(-c2ccc(OC)cc2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 6/20 0.57
MAPT P10636 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM1A O60341 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM5A P29375 1/20 0.48
KDM2B Q8NHM5 1/20 0.48
KDM4C Q9H3R0 1/20 0.48

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
SCHEMBL28334801 0.89 JMJD6 (0.57) JMJD6MAPTNPC1RAB9AL3MBTL1
SCHEMBL4763737 0.87 JMJD6 (0.61) JMJD6MAPTNPC1RAB9AKDM1A
SCHEMBL31211636 0.86 JMJD6 (0.57) JMJD6MAPTNPC1RAB9AL3MBTL1
SCHEMBL25003822 0.86 KDM4E (0.63) JMJD6MAPTNPC1RAB9AL3MBTL1
SCHEMBL4768424 0.86 JMJD6 (0.54) JMJD6MAPTALDH1A1HPGDKDM4E
SCHEMBL4763698 0.85 JMJD6 (0.64) JMJD6MAPTNPC1RAB9AALDH1A1
SCHEMBL4770697 0.85 JMJD6 (0.59) JMJD6MAPTNPC1RAB9AL3MBTL1
SCHEMBL4768876 0.85 JMJD6 (0.59) JMJD6MAPTNPC1RAB9AALDH1A1
SCHEMBL4763680 0.85 JMJD6 (0.67) JMJD6MAPTNPC1RAB9AALDH1A1
SCHEMBL4774129 0.84 HTT (0.57) JMJD6MAPTNPC1HDAC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN claimed
CN-105685064-B Weeding isoxazoles simultaneously [5,4-b] pyridine 巴斯夫欧洲公司 2018-06-22 CN disclosed
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN disclosed
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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 (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-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 JMJD6 1967/4885MAPT 4305/4885NPC1 84/4885

“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.