SCHEMBL3748414

SCHEMBL3748414

COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3cn[nH]c3)oc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 11/20 0.56
TUBB4A P04350 9/20 0.56
TUBB P07437 9/20 0.56
TUBA3C P0DPH7 9/20 0.56
TUBA1B P68363 9/20 0.56
TUBA4A P68366 9/20 0.56
TUBB4B P68371 9/20 0.56
TUBB3 Q13509 9/20 0.56
TUBB2A Q13885 9/20 0.56
TUBB8 Q3ZCM7 9/20 0.56
TUBA3E Q6PEY2 9/20 0.56
TUBA1A Q71U36 9/20 0.56
TUBA1C Q9BQE3 9/20 0.56
TUBB6 Q9BUF5 9/20 0.56
TUBB2B Q9BVA1 9/20 0.56
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
CNR1 P21554 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL5318738 0.87 CYP3A4 (0.46) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5024772 0.86 CYP3A4 (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3752874 0.83 TUBB1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3743123 0.82 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3749400 0.82 TUBB1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15314269 0.82 TUBB1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6426148 0.81 TUBB4A (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3755573 0.81 TUBB1 (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3748354 0.81 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3745553 0.81 TUBB1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557982-B2 Tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2013-10-15 US claimed
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-12-06 US claimed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US claimed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US claimed
US-8557982-B2 Tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2013-10-15 US disclosed
US-8557982-B2 Tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2013-10-15 US disclosed
US-8557982-B2 Tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2013-10-15 US disclosed
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-12-06 US disclosed
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-12-06 US disclosed
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-12-06 US disclosed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US disclosed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US disclosed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US disclosed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US disclosed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US disclosed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US disclosed
EP-1848704-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS Bionomics Limited (AU) 2007-10-31 EP disclosed
WO-2006084338-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2006-08-17 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 (2 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-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB TUBB1 1/4885TUBB4A 14/4885TUBB 3/4885
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB TUBB1 1/4885TUBB4A 14/4885TUBB 3/4885

“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.