SCHEMBL2528236

SCHEMBL2528236

COc1cccc(C2Nc3ccccc3S2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
HSD17B10 Q99714 1/20 0.37
ADRA1A P35348 2/20 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
SCHEMBL11755029 0.76 RAB9A (0.46) KDM4ELMNAMAPTTP53RAB9A
SCHEMBL19055937 0.76 RAB9A (0.48) KDM4EMAPTTP53RAB9AALDH1A1
SCHEMBL20114413 0.76 RAB9A (0.48) KDM4EMAPTTP53RAB9AALDH1A1
SCHEMBL29344256 0.76 RAB9A (0.48) KDM4EMAPTTP53RAB9AALDH1A1
SCHEMBL16639031 0.73 RAB9A (0.51) KDM4EMAPTRAB9AALDH1A1TDP1
SCHEMBL11754085 0.71 RAB9A (0.49) KDM4EMAPTTP53RAB9AALDH1A1
SCHEMBL27904252 0.70 RAB9A (0.51) LMNAMAPTTP53RAB9AALDH1A1
SCHEMBL14299538 0.70 RAB9A (0.68) KDM4EMAPTRAB9AALDH1A1HPGD
SCHEMBL24071112 0.70 SLC2A1 (0.48) KDM4ELMNAMAPTTP53RAB9A
SCHEMBL14826682 0.69 AR (0.52) KDM4ELMNAMAPTRAB9AALDH1A1

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 15 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
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 85/4885LMNA 2236/4885MAPT 3335/4885

“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.