SCHEMBL4493663

SCHEMBL4493663

O=Cc1c2c(nn1CCc1ccccc1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
CASP3 P42574 2/20 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
SCHEMBL3884510 0.79 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4497857 0.74 FNTA (0.34) NPC1FNTAFNTB
SCHEMBL4695700 0.73 LMNA (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3883599 0.71 SIGMAR1 (0.34) PDE4DMAPTALDH1A1KDM4EKMT2A
SCHEMBL4492596 0.70 PTGS2 (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4693840 0.64 POLB (0.54) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL4695727 0.62 POLB (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10729734 0.60 SLC6A3 (0.53) ACHEADRA1DHTR2ASLC6A3
SCHEMBL4696051 0.59 NPY5R (0.38) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL5244308 0.59 NPY5R (0.59) MAPTRAB9ANPC1ALDH1A1KDM4E

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 3 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 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-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 (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-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

“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.