SCHEMBL2558876

SCHEMBL2558876

C=C(C)OC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
MAPK14 Q16539 5/20 0.41
GCK P35557 3/20 0.41
MAPK12 P53778 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDGFRA P16234 1/20 0.39
KDR P35968 1/20 0.39
SRC P12931 4/20 0.38
SYK P43405 3/20 0.38
GSK3A P49840 2/20 0.37
PYGL P06737 2/20 0.37

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
SCHEMBL29662429 0.89 MAPK14 (0.49) ALDH1A1HPGDMAPK14GCKMAPK12
SCHEMBL2562936 0.89 MAPK14 (0.49) ALDH1A1HPGDMAPK14GCKMAPK12
SCHEMBL28705015 0.85 SMN1; SMN2 (0.46) ALDH1A1HPGDMAPK14GCKMAPK12
SCHEMBL13331035 0.85 SMN1; SMN2 (0.46) ALDH1A1HPGDMAPK14GCKMAPK12
SCHEMBL2475648 0.85 KDR (0.40) ALDH1A1HPGDMAPK14SMN1; SMN2NPC1
SCHEMBL2555515 0.84 GCK (0.60) ALDH1A1HPGDMAPK14GCKMAPK12
SCHEMBL2555509 0.83 GCK (0.45) ALDH1A1HPGDMAPK14GCKMAPK12
SCHEMBL2561277 0.82 SMN1; SMN2 (0.53) ALDH1A1HPGDMAPK14GCKMAPK12
SCHEMBL2557658 0.81 MAPT (0.40) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL14688488 0.80 GSK3A (0.42) ALDH1A1MAPK14GCKMAPK12SMN1; SMN2

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
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
EP-2556068-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 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-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 ALDH1A1 1479/4885HPGD 270/4885MAPK14 4/4885

“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.