SCHEMBL1310328

SCHEMBL1310328

O=C1OCCC1=CNCc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NAMPT P43490 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 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
SCHEMBL1310500 0.86 KMT2A (0.60) KMT2AHSP90AA1HSP90AB1TAAR1ALDH1A1
SCHEMBL1310955 0.85 KMT2A (0.49) KMT2AHSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL1310264 0.82 ALDH1A1 (0.65) KMT2AHSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL14972763 0.78 KMT2A (0.66) KMT2AHSP90AA1HSP90AB1TAAR1ALDH1A1
SCHEMBL14972764 0.78 KMT2A (0.66) KMT2AHSP90AA1HSP90AB1TAAR1ALDH1A1
SCHEMBL1311373 0.77 HSP90AA1 (0.73) KMT2AHSP90AA1HSP90AB1TAAR1ALDH1A1
SCHEMBL13652557 0.77 HSP90AA1 (0.73) KMT2AHSP90AA1HSP90AB1TAAR1ALDH1A1
SCHEMBL14972765 0.76 CYP1A2 (0.45) KMT2AHSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL1325020 0.75 HSP90AA1 (0.49) KMT2AHSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL1310048 0.72 HSP90AA1 (0.50) KMT2AHSP90AA1HSP90AB1ALDH1A1GAA

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 KMT2A 1458/4885HSP90AA1 4418/4885HSP90AB1 4303/4885

“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.