SCHEMBL14907653

SCHEMBL14907653

CC(C)(C)OC(=O)NCCCNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.72
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
FAAH O00519 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 2/20 0.47
GLA P06280 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
BRD4 O60885 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL18359784 0.96 MGLL (0.75) MGLLCA12CA1CA2CA9
SCHEMBL1389312 0.96 MGLL (0.75) MGLLCA12CA1CA2CA9
SCHEMBL14907652 0.95 MGLL (0.67) MGLLCA12CA1CA2CA9
SCHEMBL27356591 0.90 MGLL (0.62) MGLLCA12CA1CA2CA9
SCHEMBL12651647 0.90 MGLL (0.62) MGLLCA12CA1CA2CA9
SCHEMBL30685129 0.89 MGLL (0.60) MGLLCA12CA1CA2CA9
SCHEMBL21069827 0.89 MGLL (0.60) MGLLCA12CA1CA2CA9
SCHEMBL6183257 0.87 CA12 (0.66) MGLLCA12CA1CA2CA9
SCHEMBL6200587 0.87 MGLL (0.62) MGLLCA12CA1CA2CA9
SCHEMBL5362791 0.87 MGLL (0.59) MGLLCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 WO 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B MGLL 2826/4885CA12 4749/4885CA1 4813/4885

“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.