SCHEMBL15325817

SCHEMBL15325817

COc1ccc(NC(C)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 5/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 4/20 0.54
TDP1 Q9NUW8 2/20 0.52
NFE2L2 Q16236 1/20 0.51
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALOX5 P09917 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PKM P14618 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
SCHEMBL15325818 0.83 ALDH1A1 (0.60) ALDH1A1MAPK1NPSR1MAPTNPC1
SCHEMBL15003946 0.83 ALDH1A1 (0.60) ALDH1A1MAPK1NPSR1MAPTNPC1
SCHEMBL7788967 0.80 MAPK1 (0.51) ALDH1A1MAPK1NPSR1MAPTNPC1
SCHEMBL7785304 0.79 MAPK1 (0.48) ALDH1A1MAPK1NPSR1MAPTNPC1
SCHEMBL27556854 0.79 MAPK1 (0.48) ALDH1A1MAPK1NPSR1MAPTNPC1
SCHEMBL27540196 0.78 ACP3 (0.50) ALDH1A1MAPK1NPSR1MAPTNPC1
SCHEMBL7785642 0.78 ACP3 (0.50) ALDH1A1MAPK1NPSR1MAPTNPC1
SCHEMBL6885401 0.77 ALDH1A1 (0.69) ALDH1A1NPSR1MAPTNPC1RAB9A
SCHEMBL7789425 0.77 NFE2L2 (0.55) ALDH1A1MAPK1NPSR1MAPTNPC1
SCHEMBL7801278 0.77 NFE2L2 (0.55) ALDH1A1MAPK1NPSR1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836497-B1 CATALYST COMPOUNDS UNIV LIVERPOOL (GB) 2016-03-23 EP disclosed
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-9212199-B2 Catalyst compounds THE UNIVERSITY OF LIVERPOOL (GB) 2015-12-15 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 US disclosed
US-20150080592-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2015-03-19 US disclosed
US-20150073165-A1 CATALYST COMPOUNDS THE UNIVIERSITY OF LIVERPOOL (GB) 2015-03-12 US disclosed
US-20150073165-A1 CATALYST COMPOUNDS THE UNIVIERSITY OF LIVERPOOL (GB) 2015-03-12 US disclosed
WO-2013153407-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 WO disclosed
WO-2013153408-A1 CATALYST COMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2013-10-17 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 (2 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-20150073165-A1 CATALYST COMPOUNDS NQO1, IDH2, IDH3B ALDH1A1 115/4885MAPK1 2307/4885NPSR1 2974/4885
US-20150080592-A1 CATALYST COMPOUNDS IDH3B, IDH2, NQO1 ALDH1A1 261/4885MAPK1 3362/4885NPSR1 2878/4885

“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.