SCHEMBL20446452

SCHEMBL20446452

COc1cc(OC)c(C(C)=O)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 3/20 0.43
USP2 O75604 1/20 0.43
CA9 Q16790 1/20 0.43
IMPDH2 P12268 1/20 0.43
AR P10275 3/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PGR P06401 1/20 0.42
STING1 Q86WV6 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL8902619 0.86 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4EUSP2IMPDH2
SCHEMBL8902218 0.84 GAA (0.55) SMN1; SMN2ALDH1A1CYP3A4HTTKDM4E
SCHEMBL23174174 0.80 STING1 (0.43) SMN1; SMN2ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL30350316 0.78 CYP3A4 (0.69) ALDH1A1CYP3A4HTTKDM4ECA9
SCHEMBL7457674 0.78 CYP3A4 (0.69) ALDH1A1CYP3A4HTTKDM4ECA9
SCHEMBL20630769 0.78 HTT (0.68) SMN1; SMN2ALDH1A1CYP3A4HTTKDM4E
SCHEMBL7797934 0.78 XDH (0.48) ALDH1A1KDM4E
SCHEMBL7293099 0.77 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL1343373 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2IMPDH2AR
SCHEMBL12082332 0.76 HTT (0.51) SMN1; SMN2ALDH1A1CYP3A4HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108135175-B Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2021-04-06 CN disclosed
EP-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 EP disclosed
US-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE, INC. (JP) 2018-09-27 US disclosed
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 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-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 SUV39H2, SUV39H1, EZH1 SMN1; SMN2 3471/4885ALDH1A1 3254/4885CYP3A4 3740/4885

“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.