SCHEMBL14907905

SCHEMBL14907905

CC(C)(C)OC(=O)NCCNC(=O)C#Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.45
PTPN11 Q06124 1/20 0.43
BRD4 O60885 1/20 0.42
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ADRA2A P08913 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
P2RY6 Q15077 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
OPRK1 P41145 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL16139308 0.96 MGLL (0.47) MGLLPTPN11BRD4CA12CA1
SCHEMBL936924 0.84 PTPN11 (0.49) MGLLPTPN11BRD4CA12CA1
SCHEMBL14907934 0.84 PTPN11 (0.47) PTPN11BRD4CA12CA1CA2
SCHEMBL14907959 0.83 PTPN11 (0.46) PTPN11BRD4CA12CA1CA2
SCHEMBL14907938 0.83 DRD2 (0.48) PTPN11CA12CA1CA2CA9
SCHEMBL15807639 0.83 PTPN11 (0.62) MGLLPTPN11MAPTKDM4EADRA2A
SCHEMBL16139303 0.81 MGLL (0.49) MGLLMAPTKDM4EALDH1A1MEN1
SCHEMBL16139309 0.80 CCNC (0.47) PTPN11BRD4CA12CA1CA2
SCHEMBL16139306 0.79 PTPN11 (0.45) PTPN11BRD4CA12CA1CA2
SCHEMBL6183257 0.79 CA12 (0.66) 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 2826/4885PTPN11 1111/4885BRD4 308/4885

“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.