SCHEMBL3884510

SCHEMBL3884510

OCc1c2c(nn1CCc1ccccc1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
BCHE P06276 3/20 0.34
POLB P06746 1/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
ADRB3 P13945 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4493663 0.79 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DFNTA
SCHEMBL3883599 0.78 SIGMAR1 (0.34) PDE4DBCHEPOLBACHEMAPT
SCHEMBL4492596 0.73 PTGS2 (0.44) PDE4APDE4BPDE4CPDE4DBCHE
SCHEMBL3883592 0.73 FNTA (0.34) FNTAFNTBNPC1HRH2ADRA1D
SCHEMBL4693840 0.70 POLB (0.54) POLBMAPTRAB9ANPC1ALDH1A1
SCHEMBL8633616 0.69 PTGS2 (0.39) GRNSORT1ALDH1A1PTGS2
SCHEMBL4695727 0.65 POLB (0.42) POLBMAPTALDH1A1
SCHEMBL3885071 0.64 KMT2A (0.44) HRH2ADRA1DHTR2ASLC6A4SLC6A3
SCHEMBL27513773 0.62 POLB (0.42) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4695700 0.62 LMNA (0.39) POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550498-B2 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-06-23 US claimed
EP-1686989-B1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP claimed
EP-1587807-B1 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-06-18 EP claimed
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-07-26 US claimed
EP-1686989-A1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS Pliva - Istrazivacki Institut d.o.o. (HR) 2006-08-09 EP claimed
US-20050209296-A1 1,2-Diaza-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
WO-2005049015-A1 USE OF 1,2-DIAZA-DIBENZO[e,h]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-02 WO claimed
US-7550498-B2 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-06-23 US disclosed
EP-1686989-B1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP disclosed
EP-1587807-B1 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-06-18 EP disclosed
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-07-26 US disclosed
US-20050209296-A1 1,2-Diaza-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

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-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B PDE4A 3253/4885PDE4B 3361/4885PDE4C 4018/4885
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, DDT, BCHE PDE4A 685/4885PDE4B 814/4885PDE4C 791/4885

“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.