SCHEMBL8153885

SCHEMBL8153885

COc1ccc(C=CC(N)=O)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.75
ALDH1A1 P00352 2/20 0.75
HPGD P15428 1/20 0.75
ALOX15 P16050 1/20 0.75
MAPK1 P28482 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
HSD17B10 Q99714 1/20 0.75
NFE2L2 Q16236 1/20 0.73
ABCG2 Q9UNQ0 4/20 0.71
KMT2A Q03164 3/20 0.71
MEN1 O00255 1/20 0.71
CA2 P00918 2/20 0.66
CA1 P00915 1/20 0.66
TNFRSF1A P19438 1/20 0.63
SNCA P37840 1/20 0.62
JUN P05412 1/20 0.62
NFKB1 P19838 1/20 0.62
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61

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
SCHEMBL8153880 1.00 KDM4E (0.75) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL30560923 1.00 KDM4E (0.75) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL28422571 0.92 KDM4E (0.65) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL28393232 0.91 JUN (0.78) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL29407280 0.89 HDAC1 (0.64) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL8497323 0.89 JUN (0.71) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL21986836 0.88 KDM4E (0.59) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL18049432 0.88 APP (0.65) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL18049430 0.88 APP (0.65) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL2951016 0.88 CYP2D6 (0.77) KDM4EALDH1A1HPGDALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4134028-A None JP disclosed
CN-107531686-B Inhibitors of pseudomonas aeruginosa LecB 亥姆霍兹感染研究中心有限责任公司 2021-07-09 CN disclosed
US-10407398-B2 Inhibitors of Pseudomonas aeruginosa LecB Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-09-10 US disclosed
CN-109652275-A A kind of distiller's yeast and preparation method thereof containing Chinese herbal medicine 安龙县汪氏土酒厂 2019-04-19 CN disclosed
US-20180155310-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA LECB Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2018-06-07 US disclosed
EP-3274341-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA LECB Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2018-01-31 EP disclosed
CN-107531686-A Pseudomonas aeruginosa LecB inhibitor 亥姆霍兹感染研究中心有限责任公司 2018-01-02 CN disclosed
WO-2016151066-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA LECB Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2016-09-29 WO disclosed
CN-105646439-A Synergist for antifungal drugs, and preparation and application thereof 中国人民解放军第二军医大学 2016-06-08 CN disclosed
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 US disclosed
JP-H04134028-A CEREBRAL FUNCTION-IMPROVING DRUG AND ANTIDEPRESSANT KANEGAFUCHI CHEM IND CO LTD 1992-05-07 JP 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-20180155310-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA LECB FUCA1, ALG1, FUCA2 KDM4E 3076/4885ALDH1A1 1951/4885HPGD 2893/4885
US-10407398-B2 Inhibitors of Pseudomonas aeruginosa LecB FUCA1, ALG1, FUCA2 KDM4E 3076/4885ALDH1A1 1951/4885HPGD 2893/4885

“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.