SCHEMBL16180418

SCHEMBL16180418

COc1cc(/C(C#N)=C/c2ccc3ccccc3n2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 4/20 0.54
▸ TUBB P07437 4/20 0.54
▸ TUBA3C P0DPH7 4/20 0.54
▸ TUBA1B P68363 4/20 0.54
▸ TUBA4A P68366 4/20 0.54
▸ TUBB4B P68371 4/20 0.54
▸ TUBB3 Q13509 4/20 0.54
▸ TUBB2A Q13885 4/20 0.54
▸ TUBB8 Q3ZCM7 4/20 0.54
▸ TUBA3E Q6PEY2 4/20 0.54
▸ TUBA1A Q71U36 4/20 0.54
▸ TUBA1C Q9BQE3 4/20 0.54
▸ TUBB6 Q9BUF5 4/20 0.54
▸ TUBB2B Q9BVA1 4/20 0.54
▸ TUBB1 Q9H4B7 4/20 0.54
▸ TP53 P04637 1/20 0.50
▸ NQO1 P15559 1/20 0.48
▸ NQO2 P16083 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL16180419 1.00 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20101492 0.93 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17576071 0.91 GLA (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20106756 0.90 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1956953 0.88 GLA (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1956955 0.88 GLA (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16180542 0.86 KDM4E (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16180543 0.86 KDM4E (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16180557 0.82 KMT2A (0.48) TP53MEN1KMT2AGLAKDM4E
SCHEMBL16190108 0.82 MAPT (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239844-B2 Disubstituted triazole analogs BIOVENTURES, LLC (US) 2019-03-26 — — US disclosed
US-10100029-B2 Combretastatin analogs BIOVENTURES, LLC (US) 2018-10-16 — — US disclosed
US-20180186756-A1 DISUBSTITUTED TRIAZOLE ANALOGS BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2018-07-05 — — US disclosed
US-20180118710-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2018-05-03 — — US disclosed
US-20180118710-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2018-05-03 — — US disclosed
US-9938246-B2 Disubstituted triazole analogs BIOVENTURES, LLC (US) 2018-04-10 — — US disclosed
US-9884842-B2 Combretastatin analogs BIOVENTURES, LLC (US) 2018-02-06 — — US disclosed
US-9884842-B2 Combretastatin analogs BIOVENTURES, LLC (US) 2018-02-06 — — US disclosed
EP-3125886-A1 DISUBSTITUTED TRIAZOLE ANALOGS Board of Trustees of the University of Arkansas (US) 2017-02-08 — — EP disclosed
US-20170015635-A1 DISUBSTITUTED TRIAZOLE ANALOGS BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2017-01-19 — — US disclosed
US-20160068506-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2016-03-10 — — US disclosed
US-20160068506-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2016-03-10 — — US disclosed
EP-2986596-A2 COMBRETASTATIN ANALOGS The Board of Trustees of the University of Arkansas (US) 2016-02-24 — — EP disclosed
WO-2015153635-A1 DISUBSTITUTED TRIAZOLE ANALOGS BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-10-08 — — WO disclosed
WO-2014172363-A2 COMBRETASTATIN ANALOGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2014-10-23 — — WO disclosed
WO-2014172363-A2 COMBRETASTATIN ANALOGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2014-10-23 — — 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 (6 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-20170015635-A1 DISUBSTITUTED TRIAZOLE ANALOGS MCL1, CYP51A1, TOP2B TUBB4A 88/4885TUBB 41/4885TUBA3C 116/4885
US-20180118710-A1 COMBRETASTATIN ANALOGS HDAC6, HDAC11, HDAC5 TUBB4A 160/4885TUBB 189/4885TUBA3C 451/4885
US-10100029-B2 Combretastatin analogs HDAC6, HDAC11, HDAC5 TUBB4A 160/4885TUBB 189/4885TUBA3C 451/4885
US-20160068506-A1 COMBRETASTATIN ANALOGS HDAC6, HDAC11, HDAC5 TUBB4A 160/4885TUBB 189/4885TUBA3C 451/4885
US-10239844-B2 Disubstituted triazole analogs MCL1, CYP51A1, TOP2B TUBB4A 88/4885TUBB 41/4885TUBA3C 116/4885
US-20180186756-A1 DISUBSTITUTED TRIAZOLE ANALOGS MCL1, CYP51A1, TOP2B TUBB4A 88/4885TUBB 41/4885TUBA3C 116/4885

“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.

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