SCHEMBL14907922

SCHEMBL14907922

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
OPRK1 P41145 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PYGL P06737 1/20 0.43
TGM2 P21980 3/20 0.42
GLA P06280 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
MGLL Q99685 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
GSK3B P49841 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
SCHEMBL14907956 0.93 ALDH1A1 (0.46) ALDH1A1MAPTMEN1HSP90AA1OPRK1
SCHEMBL16139303 0.86 MGLL (0.49) ALDH1A1MAPTMEN1HSP90AA1OPRK1
SCHEMBL14907932 0.79 PYGL (0.47) PYGLHPGDTSHRMMP2
SCHEMBL14907923 0.79 MAOB (0.54) ALDH1A1MAPTMEN1KMT2APYGL
SCHEMBL14907905 0.78 MGLL (0.45) ALDH1A1MAPTMEN1HSP90AA1OPRK1
SCHEMBL16139308 0.77 MGLL (0.47) ALDH1A1MAPTMEN1HSP90AA1OPRK1
SCHEMBL21066944 0.76 ALDH1A1 (0.58) ALDH1A1MAPTMEN1HSP90AA1OPRK1
SCHEMBL4903476 0.74 MAPT (0.68) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1982414 0.73 ALDH1A1 (0.63) ALDH1A1MAPTMEN1HSP90AA1OPRK1
SCHEMBL4104247 0.72 MEN1 (0.58) ALDH1A1MAPTMEN1HSP90AA1OPRK1

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 5 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-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
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 ALDH1A1 1016/4885MAPT 3746/4885MEN1 2219/4885

“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.