SCHEMBL1310264

SCHEMBL1310264

COc1ccc(CNC=C2CCOC2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
GAA P10253 2/20 0.65
USP2 O75604 1/20 0.65
MAPK1 P28482 1/20 0.65
DYRK1A Q13627 2/20 0.58
DYRK1B Q9Y463 2/20 0.58
MAPT P10636 2/20 0.58
CLK1 P49759 1/20 0.49
KMT2A Q03164 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
HPGD P15428 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL1310500 0.83 KMT2A (0.60) ALDH1A1GAAUSP2MAPK1DYRK1A
SCHEMBL1310328 0.82 KMT2A (0.55) ALDH1A1GAAUSP2MAPK1DYRK1A
SCHEMBL1310955 0.82 KMT2A (0.49) ALDH1A1GAAUSP2MAPK1DYRK1A
SCHEMBL1310766 0.79 GAA (1.00) ALDH1A1GAAMAPK1DYRK1ADYRK1B
SCHEMBL14972764 0.74 KMT2A (0.66) ALDH1A1GAAUSP2MAPK1DYRK1A
SCHEMBL14972763 0.74 KMT2A (0.66) ALDH1A1GAAUSP2MAPK1DYRK1A
SCHEMBL9566863 0.74 DYRK1A (1.00) ALDH1A1GAAMAPK1DYRK1ADYRK1B
SCHEMBL27260229 0.74 DYRK1A (1.00) ALDH1A1GAAMAPK1DYRK1ADYRK1B
SCHEMBL18871117 0.73 ALDH1A1 (0.74) ALDH1A1GAAUSP2MAPTKMT2A
SCHEMBL14972765 0.73 CYP1A2 (0.45) ALDH1A1GAAUSP2MAPTKMT2A

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
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
EP-2391614-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE Instytut Chemii Organicznej, Polska Akademia Nauk (PL) 2011-12-07 EP disclosed
US-20110274803-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) 2011-11-10 US disclosed
WO-2010087727-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE INSTYTUT CHEMII ORGANICZNEJ, POLSKA AKADEMIA NAUK (PL) 2010-08-05 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-20110274803-A1 ENAMINOCARBONYL COMPOUNDS AND THEIR USE TAS2R42, TAS2R41, TAS2R1 ALDH1A1 1125/4885GAA 1687/4885USP2 3791/4885

“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.