SCHEMBL4695753

SCHEMBL4695753

CN(C)CCOCc1nc2c(n1CCc1ccccc1)-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
RECQL P46063 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
HTR6 P50406 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
KDM1A O60341 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
TSHR P16473 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
FBP1 P09467 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4694103 0.94 L3MBTL1 (0.39) L3MBTL1LMNAMAPTRECQLSIGMAR1
SCHEMBL4693276 0.86 LMNA (0.35) L3MBTL1LMNAMAPTRECQLSIGMAR1
SCHEMBL4692952 0.85 KDM1A (0.38) LMNAMAPTSIGMAR1KMT2AMEN1
SCHEMBL4695303 0.84 L3MBTL1 (0.40) L3MBTL1LMNAMAPTRECQLSIGMAR1
SCHEMBL4696480 0.81 BCHE (0.32) KMT2ABCHEKDM1A
SCHEMBL4694468 0.79 CYP2D6 (0.40) LMNAMAPTSIGMAR1KMT2AMEN1
SCHEMBL4694068 0.78 L3MBTL1 (0.39) L3MBTL1LMNAMAPTRECQLSIGMAR1
SCHEMBL4693840 0.78 POLB (0.54) L3MBTL1LMNAMAPTRECQLKMT2A
SCHEMBL3883599 0.76 SIGMAR1 (0.34) LMNAMAPTSIGMAR1KMT2AHTR6
SCHEMBL4695790 0.76 MEN1 (0.32) LMNAMAPTSIGMAR1KMT2AMEN1

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 5 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 claimed
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-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
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

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-20070129330-A1 1,3-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, DDT L3MBTL1 1797/4885LMNA 1828/4885MAPT 352/4885

“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.