SCHEMBL2300339

SCHEMBL2300339

CC(=N)c1sc2ccccc2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
MAPT P10636 8/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LIMK1 P53667 2/20 0.44
GPR3 P46089 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
LMNA P02545 4/20 0.41
MAPK1 P28482 3/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL13709442 0.83 PRNP (0.51) PRNPRXFP1HSD11B1KMT2AMEN1
Hydrochloric Acid SCHEMBL9431422 0.81 PRNP (0.50) PRNPRXFP1HSD11B1KMT2AMEN1
SCHEMBL21507605 0.81 PRNP (0.53) PRNPRXFP1HSD11B1KMT2AMEN1
SCHEMBL2300336 0.81 PRNP (0.53) PRNPRXFP1HSD11B1KMT2AMEN1
SCHEMBL2610250 0.81 RXFP1 (0.61) PRNPRXFP1HSD11B1KMT2AMEN1
SCHEMBL18647575 0.79 PRNP (0.51) PRNPRXFP1HSD11B1KMT2AMEN1
SCHEMBL16598796 0.78 RXFP1 (0.73) PRNPRXFP1HSD11B1KMT2AMEN1
SCHEMBL9565158 0.78 PRNP (0.50) PRNPRXFP1HSD11B1KMT2AMEN1
SCHEMBL9565157 0.78 PRNP (0.50) PRNPRXFP1HSD11B1KMT2AMEN1
SCHEMBL584871 0.77 RXFP1 (0.71) PRNPRXFP1HSD11B1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 EP claimed
US-8524682-B2 Compositions and methods for inhibiting EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-09-03 US disclosed
US-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 US disclosed
WO-2011103016-A2 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
US-20100222420-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-09-02 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090012031-A1 EZH2 Cancer Markers THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-01-08 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 (2 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI PRNP 3301/4885RXFP1 4787/4885HSD11B1 4162/4885
US-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 EZH2, BMI1, EZH1 PRNP 2200/4885RXFP1 4125/4885HSD11B1 2392/4885

“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.