SCHEMBL3845826

SCHEMBL3845826

O=C(Nc1cccnc1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.66
TUBB P07437 1/20 0.66
TUBA3C P0DPH7 1/20 0.66
TUBA1B P68363 1/20 0.66
TUBA4A P68366 1/20 0.66
TUBB4B P68371 1/20 0.66
TUBB3 Q13509 1/20 0.66
TUBB2A Q13885 1/20 0.66
TUBB8 Q3ZCM7 1/20 0.66
TUBA3E Q6PEY2 1/20 0.66
TUBA1A Q71U36 1/20 0.66
TUBA1C Q9BQE3 1/20 0.66
TUBB6 Q9BUF5 1/20 0.66
TUBB2B Q9BVA1 1/20 0.66
TUBB1 Q9H4B7 1/20 0.66
PDE4A P27815 9/20 0.59
PDE4B Q07343 9/20 0.59
PDE4C Q08493 9/20 0.59
PDE4D Q08499 9/20 0.59
POLB P06746 1/20 0.56

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
SCHEMBL3854264 0.92 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3848175 0.90 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3151543 0.89 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL4920187 0.88 TUBB4A (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3851419 0.87 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6093650 0.85 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28516015 0.84 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3845135 0.84 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3845507 0.82 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3844095 0.82 POLB (0.61) 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 23 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-0931063-B3 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ZIOPHARM ONCOLOGY INC (US) 2009-04-08 EP 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-20030207892-A1 N-substituted indole-3-glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action BAXTER HEALTHCARE S.A. (CH) 2003-11-06 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-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
US-7579365-B2 Indolyl-3-glyoxylic acid derivatives having antitumor action ZIOPHRAM ONCOLOGY, INC. (US) 2009-08-25 US disclosed
EP-0931063-B3 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ZIOPHARM ONCOLOGY INC (US) 2009-04-08 EP disclosed
US-20080027110-A1 Indolyl-3-glyoxylic acid derivatives having antitumor action ASTA MEDICA AKTIENGESELLSCHAFT 2008-01-31 US disclosed
EP-0931063-B1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT BAXTER HEALTHCARE SA (CH) 2006-10-18 EP disclosed
EP-1071420-B1 INDOLYL-3-GLYOXYLIC ACID DERIVATIVES WITH ANTITUMORAL ACTIVITY BAXTER HEALTHCARE SA (CH) 2005-09-14 EP disclosed
US-6344467-B1 ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSANT/IMMUNOMODULATING PROPERTIES ASTA MEDICA AG (DE) 2002-02-05 US disclosed
US-6232327-B1 AND PHYSIOLOGICALLY TOLERABLE ACID ADDITION SALTS, N-OXIDES ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
US-6008231-A ANTIALLERGENS, ANTIHISTAMINES, IMMUNOSUPPRESSANTS, IMMUNOMODULATORS ASTA MEDICA AKTIENGESELLSCHGT (DE) 1999-12-28 US disclosed
EP-0931063-A1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ASTA Medica Aktiengesellschaft (DE) 1999-07-28 EP disclosed
WO-1998009946-A1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1998-03-12 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 (4 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-20030207892-A1 N-substituted indole-3-glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action IDO1, IDO2, INMT TUBB4A 3310/4885TUBB 3275/4885TUBA3C 2233/4885
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

“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.