SCHEMBL3166384

SCHEMBL3166384

O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.85
TUBB P07437 1/20 0.85
TUBA3C P0DPH7 1/20 0.85
TUBA1B P68363 1/20 0.85
TUBA4A P68366 1/20 0.85
TUBB4B P68371 1/20 0.85
TUBB3 Q13509 1/20 0.85
TUBB2A Q13885 1/20 0.85
TUBB8 Q3ZCM7 1/20 0.85
TUBA3E Q6PEY2 1/20 0.85
TUBA1A Q71U36 1/20 0.85
TUBA1C Q9BQE3 1/20 0.85
TUBB6 Q9BUF5 1/20 0.85
TUBB2B Q9BVA1 1/20 0.85
TUBB1 Q9H4B7 1/20 0.85
ADORA1 P30542 2/20 0.60
CNR1 P21554 2/20 0.56
CNR2 P34972 2/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 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
Indibulin SCHEMBL29355017 0.92 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Indibulin SCHEMBL3165856 0.92 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29649082 0.92 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23625291 0.91 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15908288 0.91 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6103193 0.91 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3151543 0.91 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3845507 0.91 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL4920187 0.90 TUBB4A (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23625153 0.88 TUBB4A (0.81) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809279-B1 PARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INT (US) 2013-05-29 EP claimed
EP-1218006-B1 INDOLYL-3-GLYOXYLIC ACID DERIVATIVES COMPRISING THERAPEUTICALLY VALUABLE PROPERTIES ZIOPHARM ONCOLOGY INC (US) 2010-03-03 EP claimed
EP-0931063-B3 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ZIOPHARM ONCOLOGY INC (US) 2009-04-08 EP claimed
US-7452910-B2 Indolyl-3-glyoxylic acid derivatives having therapeutically valuable properties ZIOPHARM ONCOLOGY, INC. (US) 2008-11-18 US claimed
US-20080057124-A1 Indolyl-3-glyoxylic acid derivatives having therapeutically valuable properties ASIA MEDICA AKTIENGESELLSCHAFT (DE) 2008-03-06 US claimed
US-20080027110-A1 Indolyl-3-glyoxylic acid derivatives having antitumor action ASTA MEDICA AKTIENGESELLSCHAFT 2008-01-31 US claimed
EP-1809279-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2007-07-25 EP claimed
EP-0931063-B1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT BAXTER HEALTHCARE SA (CH) 2006-10-18 EP claimed
US-20060110462-A1 Nanoparticulate compositions of tubulin inhibitor compounds ZIOPHARM ONCOLOGY, INC. 2006-05-25 US claimed
WO-2006052712-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2006-05-18 WO claimed
US-20030195360-A1 Indolyl-3-glyoxylic acid derivatives having antitumor action ASTA MEDICA AKTIENGESELLSCHAFT 2003-10-16 US claimed
US-20030023093-A1 United states patent office ASTA MEDICA AKTIENGESELLSCHAFT 2003-01-30 US claimed
US-20020161025-A1 N-substituted indole-3glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action ZIOPHARM ONCOLOGY, INC. 2002-10-31 US claimed
EP-1218006-A2 INDOLYL-3-GLYOXYLIC ACID DERIVATIVES COMPRISING THERAPEUTICALLY VALUABLE PROPERTIES Baxter Healthcare S.A. (CH) 2002-07-03 EP claimed
US-6232327-B1 AND PHYSIOLOGICALLY TOLERABLE ACID ADDITION SALTS, N-OXIDES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-05-15 US claimed
WO-2001022954-A2 INDOLYL-3-GLYOXYLIC ACID DERIVATIVES SERVING AS ANTITUMOR AGENTS BAXTER HEALTHCARE SA (CH) 2001-04-05 WO claimed
EP-1071420-A1 INDOLYL-3-GLYOXYLIC ACID DERIVATIVES WITH ANTITUMORAL ACTIVITY ASTA Medica Aktiengesellschaft (DE) 2001-01-31 EP claimed
WO-1999051224-A1 INDOLYL-3-GLYOXYLIC ACID DERIVATIVES WITH ANTITUMORAL ACTIVITY ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-10-14 WO claimed
EP-0931063-A1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ASTA Medica Aktiengesellschaft (DE) 1999-07-28 EP claimed
WO-1998009946-A1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1998-03-12 WO claimed

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-20030023093-A1 United states patent office IDO1, IDO2, TDO2 TUBB4A 2404/4885TUBB 1691/4885TUBA3C 2087/4885
US-20080057124-A1 Indolyl-3-glyoxylic acid derivatives having therapeutically valuable properties IDO2, IDO1, GLS TUBB4A 1493/4885TUBB 1122/4885TUBA3C 742/4885
US-20080027110-A1 Indolyl-3-glyoxylic acid derivatives having antitumor action IDO1, IDO2, TDO2 TUBB4A 2279/4885TUBB 1817/4885TUBA3C 1860/4885
US-20020161025-A1 N-substituted indole-3glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action IDO1, IDO2, INMT TUBB4A 3117/4885TUBB 3238/4885TUBA3C 1665/4885
US-20060110462-A1 Nanoparticulate compositions of tubulin inhibitor compounds TUBB, TUBB1, TUBB6 TUBB4A 11/4885TUBB 1/4885TUBA3C 15/4885
US-20030195360-A1 Indolyl-3-glyoxylic acid derivatives having antitumor action IDO1, IDO2, TDO2 TUBB4A 2359/4885TUBB 1851/4885TUBA3C 1975/4885

“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.