SCHEMBL3935908

SCHEMBL3935908

CC1(C)CN(c2c[c]ccc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 3/20 0.54
NSD2 O96028 1/20 0.54
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 4/20 0.48
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.42
KDM4E B2RXH2 2/20 0.39
GRM5 P41594 1/20 0.37
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
F2 P00734 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP11B2 P19099 1/20 0.31

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
SCHEMBL16050502 0.84 RAB9A (0.40) SMN1; SMN2RAB9AALDH1A1NSD2GAA
SCHEMBL28499191 0.70 ALDH1A1 (0.38) SMN1; SMN2RAB9AALDH1A1GAAL3MBTL1
SCHEMBL1208088 0.69 SMN1; SMN2 (0.84) SMN1; SMN2RAB9AALDH1A1NSD2GAA
SCHEMBL12584934 0.69 SMN1; SMN2 (0.84) SMN1; SMN2RAB9AALDH1A1NSD2GAA
SCHEMBL25845296 0.68 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AALDH1A1NSD2GAA
SCHEMBL8790936 0.68 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AALDH1A1NSD2GAA
SCHEMBL13932030 0.68 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AALDH1A1NSD2GAA
SCHEMBL8791216 0.68 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AALDH1A1NSD2GAA
SCHEMBL1284684 0.68 ALDH1A1 (0.50) SMN1; SMN2RAB9AALDH1A1GAAL3MBTL1
SCHEMBL3936113 0.67 NSD2 (0.74) SMN1; SMN2RAB9AALDH1A1NSD2GAA

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
EP-3068758-B1 EBNA1 INHIBITORS AND THEIR METHOD OF USE WISTAR INST (US) 2021-09-08 EP disclosed
US-9856214-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2018-01-02 US disclosed
US-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-06 US disclosed
WO-2009007747-A2 HYDANTOIN DERIVATIVES USED AS MMP12 INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO 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-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE MCM5, EBNA1BP2, MLLT1 SMN1; SMN2 2217/4885RAB9A 3513/4885ALDH1A1 4002/4885

“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.