SCHEMBL5225539

SCHEMBL5225539

O=Cc1cc2c([nH]1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 3/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
RAB9A P51151 2/20 0.32
APAF1 O14727 1/20 0.32
PAX8 Q06710 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.31
ALOX15 P16050 2/20 0.31
KMT2A Q03164 2/20 0.31
BCHE P06276 2/20 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
SCHEMBL6231367 0.68 NPY5R (0.40) L3MBTL1ALDH1A1HPGDKDM4EGAA
SCHEMBL17073678 0.66 ALDH1A1 (0.48) L3MBTL1ALDH1A1HPGDKDM4EGAA
SCHEMBL19537629 0.66 ALDH1A1 (0.48) L3MBTL1ALDH1A1HPGDKDM4EGAA
SCHEMBL5227010 0.65 ALDH1A1 (0.41) L3MBTL1ALDH1A1HPGDKDM4EGAA
SCHEMBL27923265 0.64 CES1 (0.42) CYP2A6L3MBTL1TDP1RAB9AMAOA
SCHEMBL25643878 0.64 ALDH1A1 (0.46) L3MBTL1ALDH1A1HPGDKDM4EGAA
SCHEMBL4850840 0.61 ALDH1A1 (0.35) CYP2A6L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4484831 0.61 PIK3CA (0.43) L3MBTL1ALDH1A1GAAPOLBHSD17B10
SCHEMBL11012876 0.61 GPR84 (0.51) L3MBTL1ALDH1A1HPGDKDM4EMAPT
SCHEMBL16844232 0.60 MEN1 (0.51) L3MBTL1ALDH1A1HPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312203-B2 1-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GlaxoSmithKline istraziva{hacek over (c)}ki Centar Zagreb d.o.o. (HR) 2007-12-25 US claimed
EP-1506202-B1 1-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2007-08-08 EP claimed
US-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-05-17 US claimed
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US claimed
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US claimed
US-7312203-B2 1-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GlaxoSmithKline istraziva{hacek over (c)}ki Centar Zagreb d.o.o. (HR) 2007-12-25 US disclosed
EP-1506202-B1 1-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2007-08-08 EP disclosed
US-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-05-17 US disclosed
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US disclosed
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US 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 (3 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-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, DDT CYP2A6 288/4885L3MBTL1 2596/4885ALDH1A1 130/4885
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP2A6 416/4885L3MBTL1 1975/4885ALDH1A1 42/4885
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP2A6 460/4885L3MBTL1 1949/4885ALDH1A1 44/4885

“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.