SCHEMBL906201

SCHEMBL906201

COc1ccccc1OCc1ccccc1.OBO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.66
ADRA1D P25100 4/20 0.66
ADRA1A P35348 4/20 0.66
ADRA1B P35368 4/20 0.66
RXRA P19793 1/20 0.66
ATM Q13315 1/20 0.64
APP P05067 1/20 0.64
MRGPRX4 Q96LA9 1/20 0.60
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
LIPE Q05469 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54

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
SCHEMBL30416387 0.92 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BRXRA
SCHEMBL791853 0.92 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BRXRA
Ammonia Solution, Strong SCHEMBL2063054 0.90 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BRXRA
Ethylamine SCHEMBL28464910 0.84 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BRXRA
SCHEMBL339812 0.82 MAPT (0.71) HTR1AADRA1DADRA1AADRA1BRXRA
SCHEMBL9474602 0.81 APP (0.69) HTR1AADRA1DADRA1AADRA1BRXRA
SCHEMBL16437065 0.81 MAPT (0.55) HTR1AADRA1DADRA1AADRA1BRXRA
SCHEMBL9615215 0.81 MRGPRX4 (0.69) HTR1AADRA1DADRA1AADRA1BRXRA
SCHEMBL19361334 0.80 NPC1 (0.52) HTR1AADRA1DADRA1AADRA1BRXRA
SCHEMBL16823466 0.80 RXRA (1.00) RXRAATMAPPMRGPRX4MAPT

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 HTR1A 4544/4885ADRA1D 2566/4885ADRA1A 2728/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C HTR1A 4554/4885ADRA1D 2586/4885ADRA1A 2828/4885
US-20110269760-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C HTR1A 4544/4885ADRA1D 2566/4885ADRA1A 2728/4885
US-20130274263-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C HTR1A 4544/4885ADRA1D 2566/4885ADRA1A 2728/4885
US-20140221396-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C HTR1A 4544/4885ADRA1D 2566/4885ADRA1A 2728/4885

“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.