SCHEMBL1310441

SCHEMBL1310441

Cc1ccccc1NC=C1CCOC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.62
HSP90AB1 P08238 3/20 0.62
GAA P10253 2/20 0.54
MAPK1 P28482 1/20 0.54
NAMPT P43490 1/20 0.51
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL21067997 0.77 HSP90AA1 (1.00) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL1310394 0.77 HSP90AA1 (1.00) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL9685764 0.73 NAMPT (0.59) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL12110723 0.70
SCHEMBL13652557 0.70 HSP90AA1 (0.73) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL1311373 0.70 HSP90AA1 (0.73) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL1310766 0.70 GAA (1.00) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL2837762 0.69 HSP90AA1 (0.75) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL1309444 0.68 HSP90AA1 (0.56) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL1312459 0.68 HSP90AA1 (0.56) HSP90AA1HSP90AB1GAAMAPK1NAMPT

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 4303/4885GAA 1687/4885

“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.