SCHEMBL3844095

SCHEMBL3844095

O=C(Nc1ccccn1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59
TUBB4B P68371 1/20 0.59
TUBB3 Q13509 1/20 0.59
TUBB2A Q13885 1/20 0.59
TUBB8 Q3ZCM7 1/20 0.59
TUBA3E Q6PEY2 1/20 0.59
TUBA1A Q71U36 1/20 0.59
TUBA1C Q9BQE3 1/20 0.59
TUBB6 Q9BUF5 1/20 0.59
TUBB2B Q9BVA1 1/20 0.59
TUBB1 Q9H4B7 1/20 0.59
PDE4A P27815 2/20 0.56
PDE4B Q07343 2/20 0.56
PDE4C Q08493 2/20 0.56
PDE4D Q08499 2/20 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
SCHEMBL3844880 0.91 TUBB4A (0.61) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6093650 0.89 TUBB4A (0.59) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4019994 0.85 PDE4A (0.61) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3851419 0.85 TUBB4A (0.69) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3151543 0.84 TUBB4A (0.82) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6086713 0.84 TUBB4A (0.57) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6087025 0.84 POLB (0.56) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6087363 0.84 POLB (0.56) POLBTUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL4920187 0.83 TUBB4A (0.81) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7089261 0.83 TUBB4A (0.56) POLBTUBB4ATUBBTUBA3CTUBA1B

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 22 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
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-6919344-B2 N-substituted indole-3-glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action ASTA MEDICA, AKTIENGESELLSCHAFT (DE) 2005-07-19 US disclosed
US-20020161025-A1 N-substituted indole-3glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action ZIOPHARM ONCOLOGY, INC. 2002-10-31 US 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
EP-1071420-A1 INDOLYL-3-GLYOXYLIC ACID DERIVATIVES WITH ANTITUMORAL ACTIVITY ASTA Medica Aktiengesellschaft (DE) 2001-01-31 EP disclosed
US-6008231-A ANTIALLERGENS, ANTIHISTAMINES, IMMUNOSUPPRESSANTS, IMMUNOMODULATORS ASTA MEDICA AKTIENGESELLSCHGT (DE) 1999-12-28 US disclosed
WO-1999051224-A1 INDOLYL-3-GLYOXYLIC ACID DERIVATIVES WITH ANTITUMORAL ACTIVITY ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-10-14 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 POLB 4834/4885TUBB4A 3310/4885TUBB 3275/4885
US-20080027110-A1 Indolyl-3-glyoxylic acid derivatives having antitumor action IDO1, IDO2, TDO2 POLB 2556/4885TUBB4A 2279/4885TUBB 1817/4885
US-20020161025-A1 N-substituted indole-3glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action IDO1, IDO2, INMT POLB 4855/4885TUBB4A 3117/4885TUBB 3238/4885
US-20060110462-A1 Nanoparticulate compositions of tubulin inhibitor compounds TUBB, TUBB1, TUBB6 POLB 356/4885TUBB4A 11/4885TUBB 1/4885

“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.