SCHEMBL906150

SCHEMBL906150

CCC[C@@H](O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL13262326 1.00 AOC3 (0.53) AOC3MEN1KMT2ACYP11B1CYP11B2
SCHEMBL18503058 0.89 AOC3 (0.52) AOC3MEN1KMT2AKDM4EALDH1A1
SCHEMBL21633858 0.89 LMNA (0.48) AOC3MEN1KMT2AKDM4EALDH1A1
SCHEMBL8102586 0.88 AOC3 (0.50) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL9906758 0.86 AOC3 (0.49) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL10327448 0.86 AOC3 (0.49) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL19391256 0.86 AOC3 (0.49) AOC3MEN1KMT2AKDM4ESIGMAR1
SCHEMBL28551457 0.82 MEN1 (0.56) MEN1KMT2A
SCHEMBL29861491 0.82 LMNA (0.43) AOC3MEN1KMT2AKDM4EALDH1A1
SCHEMBL1978021 0.82 LMNA (0.60) AOC3MEN1KMT2AKDM4EALDH1A1

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 31 patents — showing the first 20. 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-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 US disclosed
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-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 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
US-9139560-B2 Substituted pyrazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-09-22 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-20110269760-A1 TUBULIN INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-11-03 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
US-7981900-B2 Modulation microtubules diseases; antiproliferative agents; antiinflamamtory agents YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-07-19 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
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 US disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 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 (3 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 AOC3 3855/4885MEN1 2558/4885KMT2A 2834/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C AOC3 3952/4885MEN1 2429/4885KMT2A 2891/4885
US-20110269760-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C AOC3 3855/4885MEN1 2558/4885KMT2A 2834/4885

“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.