SCHEMBL2304577

SCHEMBL2304577

C(=C/CSc1ccccn1)\CSc1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.72
RAB9A P51151 5/20 0.72
TDP1 Q9NUW8 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
EHMT2 Q96KQ7 1/20 0.56
EHMT1 Q9H9B1 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2304581 1.00 NPC1 (0.72) NPC1RAB9ATDP1L3MBTL1EHMT2
SCHEMBL2874801 0.85 NPC1 (0.61) NPC1RAB9ATDP1L3MBTL1EHMT2
SCHEMBL3647399 0.85 NPC1 (0.61) NPC1RAB9ATDP1L3MBTL1EHMT2
SCHEMBL2391787 0.85 RAB9A (0.61) NPC1RAB9ATDP1L3MBTL1EHMT2
SCHEMBL10715337 0.85 L3MBTL1 (1.00) NPC1RAB9ATDP1L3MBTL1EHMT2
SCHEMBL28462526 0.85 L3MBTL1 (1.00) NPC1RAB9ATDP1L3MBTL1EHMT2
Hydrogen Sulfide SCHEMBL27801563 0.84 NPC1 (0.59) NPC1RAB9ATDP1L3MBTL1EHMT2
SCHEMBL7205329 0.81 EHMT2 (0.61) NPC1RAB9ATDP1L3MBTL1EHMT2
SCHEMBL3063913 0.77
SCHEMBL9646890 0.77

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 12 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-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
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 NPC1 2288/4885RAB9A 2607/4885TDP1 2434/4885

“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.