SCHEMBL25518166

SCHEMBL25518166

CCNC(=O)ONC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
EPHX1 P07099 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.36
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL25526096 0.84 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4EPHX1
SCHEMBL27983180 0.78 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4EPHX1
SCHEMBL26188289 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MMP2MMP8KMT2A
SCHEMBL6647074 0.75 EPHX1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4EPHX1
Hydrochloric Acid SCHEMBL6649073 0.73 EPHX1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4EPHX1
SCHEMBL25518227 0.73 ALDH1A1 (0.39) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL25520066 0.73
Hydrochloric Acid SCHEMBL6646763 0.73 EPHX1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4EPHX1
SCHEMBL17339602 0.73
SCHEMBL9209754 0.73 MEN1 (0.47) KMT2AMEN1MAPTPOLBTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 CHRNB2 3014/4885CHRNB4 3645/4885CHRNA3 3701/4885

“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.