SCHEMBL5857533

SCHEMBL5857533

CC(C)(CO)COc1ccc(N)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
AAK1 Q2M2I8 8/20 0.40
NUDT1 P36639 2/20 0.40
XDH P47989 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 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
Hydrochloric Acid SCHEMBL5859058 0.99 KDM4E (0.53) KDM4EUSP2ALDH1A1AAK1NUDT1
SCHEMBL5857594 0.85 KDM4E (0.60) KDM4EUSP2ALDH1A1AAK1XDH
Hydrochloric Acid SCHEMBL7855012 0.84 KDM4E (0.58) KDM4EUSP2ALDH1A1AAK1XDH
SCHEMBL508229 0.79 NUDT1 (0.47) KDM4EUSP2ALDH1A1AAK1NUDT1
SCHEMBL6052133 0.79 ALDH1A1 (0.56) KDM4EUSP2ALDH1A1AAK1
SCHEMBL13723909 0.78 GAA (0.57) KDM4EUSP2ALDH1A1NUDT1
SCHEMBL17101854 0.77 KDM4E (0.66) KDM4EUSP2ALDH1A1XDH
SCHEMBL14320713 0.77 GAA (0.55) KDM4EUSP2ALDH1A1NUDT1NPC1
SCHEMBL13665133 0.74 ALDH1A1 (0.50) KDM4EUSP2ALDH1A1AAK1NPC1
SCHEMBL6052309 0.73 ALDH1A1 (0.63) KDM4EUSP2ALDH1A1AAK1XDH

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-7112594-B2 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-26 US disclosed
US-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-10-30 US disclosed
EP-1310488-A1 FUSED BICYCLIC AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-14 EP 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-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof BET1, NFATC1, ARG1 KDM4E 474/4885USP2 4157/4885ALDH1A1 902/4885

“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.