SCHEMBL1310396

SCHEMBL1310396

O=C1OC=CC1=CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NAMPT P43490 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.42
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.30

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
SCHEMBL1311374 0.84 MAPT (0.45) ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2LMNA
SCHEMBL1310502 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL12809869 0.72 ALDH1A1 (0.43) ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2NAMPT
SCHEMBL13325913 0.72 ALDH1A1 (0.43) ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2NAMPT
SCHEMBL9134276 0.71 MAP1LC3B (0.65) ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2NAMPT
SCHEMBL4741321 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL31288502 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL9134692 0.70 MAP1LC3B (0.62) ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2NAMPT
SCHEMBL9134696 0.70 MAP1LC3B (0.62) ALDH1A1HSP90AA1HSP90AB1SMN1; SMN2NAMPT
SCHEMBL1324855 0.68 ALDH1A1 (0.37) ALDH1A1LMNAMAPTKDM4ENPSR1

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 ALDH1A1 1125/4885HSP90AA1 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.