SCHEMBL906203

SCHEMBL906203

COc1cc(OBOc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
BLM P54132 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49

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
SCHEMBL18623122 0.87 MAOB (0.62) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL12772071 0.87 MAOB (0.62) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL7574771 0.85 MAOB (0.55) SMN1; SMN2ALDH1A1MAPTALOX12HTR1A
SCHEMBL2090976 0.81 MAOB (0.62) SMN1; SMN2KMT2AKDM4EALDH1A1LMNA
SCHEMBL13791570 0.81 MAOB (0.62) SMN1; SMN2KMT2AKDM4EALDH1A1LMNA
SCHEMBL16034900 0.80 GAA (0.47) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL16034065 0.80 ALOX5 (0.44) NPC1RAB9ASMN1; SMN2CYP1A2LMNA
SCHEMBL1516640 0.80 S1PR5 (0.45) CYP1A2LMNAMAOB
SCHEMBL4986557 0.80 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL5433423 0.80 ALOX5 (0.54) RAB9ASMN1; SMN2CYP1A2CYP3A4LMNA

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
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 US disclosed
US-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 US disclosed
US-9139560-B2 Substituted pyrazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-09-22 US disclosed
EP-2277865-B1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BIOSCIENCES AUSTRALIA PTY (AU) 2014-11-12 EP disclosed
US-20140221396-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2014-08-07 US disclosed
US-20130274263-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD 2013-10-17 US disclosed
US-8394806-B2 2-phenyl pyrazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-03-12 US disclosed
US-20110269760-A1 TUBULIN INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-11-03 US disclosed
US-7981900-B2 Modulation microtubules diseases; antiproliferative agents; antiinflamamtory agents YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-07-19 US disclosed
EP-1689715-B1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2011-02-09 EP disclosed
EP-2277865-A1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BioSciences Australia Pty Ltd (AU) 2011-01-26 EP disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 US disclosed
EP-1689715-A4 TUBULIN INHIBITORS CYTOPIA RES PTY LTD (AU) 2008-01-23 EP disclosed
EP-1689715-A1 TUBULIN INHIBITORS Cytopia Research Pty Ltd (AU) 2006-08-16 EP disclosed
WO-2005054199-A1 TUBULIN INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2005-06-16 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 (5 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-20160031835-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C NPC1 1049/4885RAB9A 863/4885HPGD 3632/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C NPC1 1191/4885RAB9A 885/4885HPGD 3653/4885
US-20110269760-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C NPC1 1049/4885RAB9A 863/4885HPGD 3632/4885
US-20130274263-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C NPC1 1049/4885RAB9A 863/4885HPGD 3632/4885
US-20140221396-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C NPC1 1049/4885RAB9A 863/4885HPGD 3632/4885

“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.