SCHEMBL2245487

SCHEMBL2245487

Cc1ccc2cc(NC(=O)C(=O)c3cn(Cc4ccc(Cl)cc4)c4ccccc34)ccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.65
TUBB P07437 1/20 0.65
TUBA3C P0DPH7 1/20 0.65
TUBA1B P68363 1/20 0.65
TUBA4A P68366 1/20 0.65
TUBB4B P68371 1/20 0.65
TUBB3 Q13509 1/20 0.65
TUBB2A Q13885 1/20 0.65
TUBB8 Q3ZCM7 1/20 0.65
TUBA3E Q6PEY2 1/20 0.65
TUBA1A Q71U36 1/20 0.65
TUBA1C Q9BQE3 1/20 0.65
TUBB6 Q9BUF5 1/20 0.65
TUBB2B Q9BVA1 1/20 0.65
TUBB1 Q9H4B7 1/20 0.65
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6192534 0.92 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29409455 0.86 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5346065 0.86 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5569350 0.84 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5982035 0.81 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5572473 0.80 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Indibulin SCHEMBL3165856 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Indibulin SCHEMBL29355017 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2252440 0.78 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5573795 0.78 TUBB4A (0.56) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008324-B2 Antitumor agents; N-propargyl-N-(2-methyl-6-quinolyl)-[1-(4-chlorobenzyl)indol-3-yl]glyoxylamide AETERNA ZENTARIS GMBH (DE) 2011-08-30 US disclosed
US-8008324-B2 Antitumor agents; N-propargyl-N-(2-methyl-6-quinolyl)-[1-(4-chlorobenzyl)indol-3-yl]glyoxylamide AETERNA ZENTARIS GMBH (DE) 2011-08-30 US disclosed
US-8008324-B2 Antitumor agents; N-propargyl-N-(2-methyl-6-quinolyl)-[1-(4-chlorobenzyl)indol-3-yl]glyoxylamide AETERNA ZENTARIS GMBH (DE) 2011-08-30 US disclosed
US-7989453-B2 Antitumor agents; for example, N-(2-methyl-6-quinolyl)-[1-(4-chlorobenzyl)indole-3-yl]glyoxylamide AETERNA ZENTARIS GMBH (DE) 2011-08-02 US disclosed
US-7989453-B2 Antitumor agents; for example, N-(2-methyl-6-quinolyl)-[1-(4-chlorobenzyl)indole-3-yl]glyoxylamide AETERNA ZENTARIS GMBH (DE) 2011-08-02 US disclosed
US-7989453-B2 Antitumor agents; for example, N-(2-methyl-6-quinolyl)-[1-(4-chlorobenzyl)indole-3-yl]glyoxylamide AETERNA ZENTARIS GMBH (DE) 2011-08-02 US disclosed
EP-2163552-A1 Indole derivatives and their use as antitumor agents AEterna Zentaris GmbH (DE) 2010-03-17 EP disclosed
EP-2163552-A1 Indole derivatives and their use as antitumor agents AEterna Zentaris GmbH (DE) 2010-03-17 EP disclosed
EP-2163552-A1 Indole derivatives and their use as antitumor agents AEterna Zentaris GmbH (DE) 2010-03-17 EP disclosed
EP-1939195-A1 New indole derivatives and their use as medicine AEterna Zentaris GmbH (DE) 2008-07-02 EP disclosed
EP-1641777-A1 INDOLE DERIVATIVES WITH APOPTOSIS-INDUCING EFFECT Zentaris GmbH (DE) 2006-04-05 EP disclosed
EP-1595878-A1 INDOLE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY Zentaris GmbH (DE) 2005-11-16 EP disclosed
WO-2005014542-A2 NOVEL N-SUBSTITUTED INDOLYL-3-GLYOXYLIC ACID AMIDES, USE THEREOF AS A MEDICAMENT AGAINST CANCER, AND METHOD FOR THE PRODUCTION THEREOF ZENTARIS GMBH (DE) 2005-02-17 WO disclosed
US-20050020636-A1 N-substituted indolyl-3-glyoxylamides, their use as medicaments and process for their preparation ZENTARIS GMBH (DE) 2005-01-27 US disclosed
US-20040266762-A1 Indole derivatives having an apoptosis-inducing effect AETERNA ZENTARIS GMBH (DE) 2004-12-30 US disclosed
WO-2004108702-A1 INDOLE DERIVATIVES WITH APOPTOSIS-INDUCING EFFECT ZENTARIS GMBH (DE) 2004-12-16 WO disclosed
EP-1484329-A1 Indole derivatives with apoptosis inducing activity Zentaris GmbH (DE) 2004-12-08 EP disclosed
US-20030100597-A1 Novel indole derivatives and their use as medicaments AETERNA ZENTARIS GMBH (DE) 2003-05-29 US disclosed
EP-1309585-A2 NOVEL INDOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS Zentaris AG (DE) 2003-05-14 EP disclosed
WO-2002010152-A2 NOVEL INDOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS ZENTARIS AG (DE) 2002-02-07 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 (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-20040266762-A1 Indole derivatives having an apoptosis-inducing effect BAD, API5, AIFM1 TUBB4A 1171/4885TUBB 1105/4885TUBA3C 1897/4885
US-20050020636-A1 N-substituted indolyl-3-glyoxylamides, their use as medicaments and process for their preparation IDO2, IDO1, AGXT TUBB4A 585/4885TUBB 391/4885TUBA3C 308/4885
US-20030100597-A1 Novel indole derivatives and their use as medicaments IDO1, TPH1, IDO2 TUBB4A 609/4885TUBB 419/4885TUBA3C 1396/4885

“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.