SCHEMBL1309879

SCHEMBL1309879

O=C1OCCC1=CNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.61
HSP90AB1 P08238 1/20 0.61
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 1/20 0.60
MPI P34949 1/20 0.60
NAMPT P43490 1/20 0.51
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
BAZ1A Q9NRL2 2/20 0.45
POLB P06746 3/20 0.44
DDX3X O00571 1/20 0.44
HTT P42858 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL1310394 0.77 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAPTSMN1; SMN2NPC1
SCHEMBL21067997 0.77 HSP90AA1 (1.00) HSP90AA1HSP90AB1MAPTSMN1; SMN2NPC1
SCHEMBL9521155 0.72 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1309882 0.72 MAPT (0.49) HSP90AA1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30385018 0.72 MAPT (0.59) HSP90AA1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL225469 0.72 MAPT (0.59) HSP90AA1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13640183 0.71 MAPT (0.51) HSP90AA1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1311373 0.70 HSP90AA1 (0.73) HSP90AA1HSP90AB1MAPTSMN1; SMN2NPC1
SCHEMBL13652557 0.70 HSP90AA1 (0.73) HSP90AA1HSP90AB1MAPTSMN1; SMN2NPC1
SCHEMBL732435 0.68 SMN1; SMN2 (0.64) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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-8846125-B2 Enaminocarbonyl compounds and their use INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) 2014-09-30 US disclosed
EP-2391614-B1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE INST CHEMII ORGANICZNEJ POLSKA AKADEMIA NAUK (PL) 2013-05-29 EP disclosed
US-20110274803-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) 2011-11-10 US 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-20110274803-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE TAS2R42, TAS2R41, TAS2R1 HSP90AA1 4418/4885HSP90AB1 4303/4885MAPT 4680/4885

“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.