SCHEMBL4488708

SCHEMBL4488708

c1ccc(CCn2cc3c(n2)-c2ccccc2Oc2ccccc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
ADORA2A P29274 7/20 0.39
ADORA1 P30542 6/20 0.39
ADORA3 P0DMS8 6/20 0.39
SIGMAR1 Q99720 1/20 0.37
NAMPT P43490 1/20 0.36
PTGIR P43119 1/20 0.35
GBA1 P04062 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
MAOB P27338 1/20 0.34
ADORA2B P29275 2/20 0.34

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
SCHEMBL3882808 0.82 KMT2A (0.44) PTGIR
SCHEMBL4492596 0.77 PTGS2 (0.44) PTGS2ADORA2AADORA1ADORA3SIGMAR1
SCHEMBL3883017 0.73 NPC1 (0.36) ADORA2AADORA1SIGMAR1NPC1MAPT
SCHEMBL4692130 0.71 HTT (0.49) ADORA2ANPC1MAPTRAB9ACASP3
SCHEMBL4695231 0.70 POLB (0.54) NPC1MAPTRAB9AL3MBTL1
SCHEMBL4696563 0.67 LMNA (0.39) NPC1MAPTRAB9ACASP3
SCHEMBL16401668 0.65 GBA1 (0.52) PTGS2GBA1NPC1MAPTRAB9A
SCHEMBL28064646 0.64 SIGMAR1 (0.63) SIGMAR1MAPTRAB9AL3MBTL1CASP3
SCHEMBL4695684 0.64 CYP1A2 (0.37) RAB9A
SCHEMBL16206231 0.63 GBA1 (0.60) GBA1L3MBTL1MAOB

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 PTGS2 364/4885ADORA2A 2150/4885ADORA1 718/4885

“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.