SCHEMBL4694178

SCHEMBL4694178

C1=NCSc2c1c1cccc-1cc1ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HIF1A Q16665 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CASP1 P29466 1/20 0.33
CYP11B1 P15538 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1B1 Q16678 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL5363332 0.71 ALOX5 (0.34) ALDH1A1HPGDHSD17B10HIF1ATSHR
SCHEMBL31289120 0.67 HSD17B10 (0.38) ALDH1A1HPGDHSD17B10HIF1ATSHR
SCHEMBL4037430 0.66 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10HIF1ATSHR
SCHEMBL2543830 0.64 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10HIF1ATSHR
SCHEMBL31289098 0.64 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ATSHRMAPK1
SCHEMBL4849289 0.64 ALDH1A1 (0.33) ALDH1A1HPGDHSD17B10HIF1ATSHR
SCHEMBL7236846 0.62 ALOX5 (0.35) ALDH1A1HPGDHSD17B10HIF1ATSHR
SCHEMBL3624225 0.61 CYP2B6 (0.40) ALDH1A1HPGDHSD17B10HIF1ATSHR
SCHEMBL6201471 0.61 ALOX5 (0.38) ALDH1A1HPGDHSD17B10HIF1ATSHR
SCHEMBL14036308 0.60 MCL1 (0.53) ALDH1A1HPGDHSD17B10HIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509528-B1 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-09-24 EP disclosed
US-7262302-B2 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
US-7262302-B2 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
US-7262302-B2 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
CN-1315847-C 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA D D (HR) 2007-05-16 CN disclosed
CN-1315847-C 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA D D (HR) 2007-05-16 CN disclosed
US-20060111340-A1 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-05-25 US disclosed
US-20060111340-A1 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-05-25 US disclosed
US-20060111340-A1 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-05-25 US disclosed
CN-1665822-A 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA D D (HR) 2005-09-07 CN disclosed
CN-1665822-A 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA D D (HR) 2005-09-07 CN disclosed
EP-1509528-A2 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva-Istrazivacki Institut D.D.O. (HR) 2005-03-02 EP disclosed
EP-1509532-A1 1-THIA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva - Istrazivacki Institut d.o.o. (HR) 2005-03-02 EP disclosed
EP-1509532-A1 1-THIA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva - Istrazivacki Institut d.o.o. (HR) 2005-03-02 EP disclosed
WO-2003099823-A3 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA D D (HR) 2004-04-29 WO disclosed
WO-2003099823-A2 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-12-04 WO disclosed
WO-2003099827-A1 1-THIA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-12-04 WO disclosed
WO-2003099827-A1 1-THIA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-12-04 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 (1 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-20060111340-A1 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B ALDH1A1 40/4885HPGD 156/4885HSD17B10 1552/4885

“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.