SCHEMBL14907652

SCHEMBL14907652

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.67
FAAH O00519 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
GAA P10253 2/20 0.48
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
MAPT P10636 3/20 0.45
EGFR P00533 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL14907653 0.95 MGLL (0.72) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL1389312 0.94 MGLL (0.75) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL18359784 0.94 MGLL (0.75) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL12651647 0.92 MGLL (0.62) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL27356591 0.92 MGLL (0.62) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL30685129 0.91 MGLL (0.60) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL21069827 0.91 MGLL (0.60) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL18703462 0.89 MGLL (0.78) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL28259366 0.88 MGLL (0.63) MGLLFAAHTRPV1BCL9CTNNB1
SCHEMBL9228347 0.88 BCL9 (0.59) MGLLFAAHTRPV1BCL9CTNNB1

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
WO-2017060322-A2 PTEFB-INHIBITOR-ADC BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 WO disclosed
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 2826/4885FAAH 4806/4885TRPV1 4853/4885

“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.