SCHEMBL2547601

SCHEMBL2547601

COCCNc1ccccc1N.COCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
ALDH1A1 P00352 6/20 0.63
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 3/20 0.57
KAT2B Q92831 2/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 2/20 0.54
HCAR3 P49019 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 2/20 0.51
PTGER4 P35408 1/20 0.49
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
HDAC1 Q13547 1/20 0.46

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
SCHEMBL762770 0.92 MAPT (0.68) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL742957 0.84 PTGER4 (0.54) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL7745470 0.83 ALDH1A1 (0.66) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL11314258 0.82 PTGER4 (0.53) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL14839882 0.82 KAT2B (0.64) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8718178 0.78 MAPT (0.70) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6595723 0.77 MAPT (0.65) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6198859 0.77 KAT2B (0.80) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL869207 0.76 KAT2B (0.55) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2729695 0.76 ALDH1A1 (0.63) MAPTALDH1A1RAB9ALMNAKAT2B

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
EP-2552208-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 US disclosed
WO-2011123609-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-10-06 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-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K3 MAPT 2704/4885ALDH1A1 2664/4885RAB9A 1002/4885

“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.