SCHEMBL4693840

SCHEMBL4693840

OCc1nc2c(n1CCc1ccccc1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
ALDH1A1 P00352 1/20 0.40
CASR P41180 5/20 0.39
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4695727 0.89 POLB (0.42) POLBALDH1A1CASRLMNARECQL
SCHEMBL4695231 0.80 POLB (0.54) POLBALDH1A1CASRLMNARECQL
SCHEMBL4695746 0.80 NPY5R (0.39) POLBALDH1A1LMNAMAPT
SCHEMBL4695700 0.79 LMNA (0.39) POLBALDH1A1CASRLMNARECQL
SCHEMBL4695753 0.78 L3MBTL1 (0.40) POLBALDH1A1LMNARECQLMAPT
SCHEMBL4694103 0.77 L3MBTL1 (0.39) POLBALDH1A1LMNARECQLMAPT
SCHEMBL4693276 0.77 LMNA (0.35) ALDH1A1LMNARECQLMAPTKMT2A
SCHEMBL4695733 0.73 KDM4E (0.40) POLBALDH1A1CASRLMNAMAPT
SCHEMBL4492596 0.70 PTGS2 (0.44) ALDH1A1L3MBTL1
SCHEMBL3884510 0.70 PDE4A (0.35) POLBALDH1A1MAPTNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684749-B1 USE OF 1,3-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) 2007-09-05 EP claimed
US-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-06-07 US claimed
US-7166583-B2 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-01-23 US claimed
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2005-10-13 US claimed
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
EP-1684749-B1 USE OF 1,3-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) 2007-09-05 EP disclosed
US-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-06-07 US disclosed
US-7166583-B2 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-01-23 US disclosed
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2005-10-13 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-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, DDT POLB 3200/4885ALDH1A1 181/4885CASR 2909/4885
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B POLB 3195/4885ALDH1A1 45/4885CASR 3617/4885

“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.