SCHEMBL4029345

SCHEMBL4029345

O=C(Nc1ccncc1)C(=O)c1c(Cc2ccccc2)[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.42
NPY5R Q15761 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41

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
SCHEMBL3824082 0.91 TUBB4A (0.53) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5535769 0.91 GABRP (0.42) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5531206 0.88 NPC1 (0.50) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5532781 0.85 NPC1 (0.42) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL5537813 0.84 ALOX5 (0.43) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5533387 0.83 NPC1 (0.47) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5535174 0.82 MAPT (0.46) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5528306 0.82 KMT2A (0.47) POLBMAPTMEN1KMT2A
SCHEMBL5532784 0.80 PDE4A (0.52) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL8804263 0.79 CYP3A4 (0.52) POLBMAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4834/4885MAPT 3185/4885MEN1 3676/4885
US-20020161025-A1 N-substituted indole-3glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action IDO1, IDO2, INMT POLB 4855/4885MAPT 3626/4885MEN1 4372/4885

“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.