SCHEMBL2301968

SCHEMBL2301968

CSc1cc(-c2sc(-c3cccs3)nc2C)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 3/20 0.42
COMT P21964 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
AHR P35869 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
AXL P30530 1/20 0.37
KEAP1 Q14145 1/20 0.37
TRPM8 Q7Z2W7 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
SCHEMBL298591 0.76 KDM4E (0.64) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL299787 0.70 KDM4E (0.73) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL10091957 0.68 KDM4E (0.61) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL13064326 0.67 KDM4E (0.45) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL27016991 0.66 KDM4E (0.58) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL28449600 0.65 KDM4E (0.55) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL2875439 0.64 KMT2A (0.57) KDM4ERAB9AL3MBTL1GAAALDH1A1
SCHEMBL6760831 0.64 KDM4E (0.49) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL3436682 0.62 KDM4E (0.58) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL6168006 0.62 KDM4E (0.57) KDM4ERAB9AL3MBTL1GAAGLA

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 16 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-9889180-B2 Method of treating cancer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-13 US claimed
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 US claimed
EP-2908843-A1 METHOD OF TREATING CANCER Agency For Science, Technology And Research (SG) 2015-08-26 EP claimed
WO-2014077784-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 WO claimed
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 EP disclosed
US-9889180-B2 Method of treating cancer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-13 US disclosed
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 US disclosed
EP-2908843-A1 METHOD OF TREATING CANCER Agency For Science, Technology And Research (SG) 2015-08-26 EP disclosed
WO-2014077784-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 WO disclosed
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
WO-2009006577-A2 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-01-08 WO 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 (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-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 EZH2, BMI1, EZH1 KDM4E 85/4885RAB9A 2607/4885L3MBTL1 497/4885

“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.