SCHEMBL1554573

SCHEMBL1554573

COCCC(C(=N)Nc1cc(C(=O)OC)ccc1OC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
LTB4R Q15722 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1553849 0.90 ALDH1A1 (0.50) NPSR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL4846737 0.86 HDAC1 (0.48) NPSR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL1553818 0.82 KMT2A (0.51) NPSR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL1553934 0.81 ALDH1A1 (0.57) NPSR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL1554500 0.78 POLB (0.54) NPSR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL1553674 0.77 NPSR1 (0.57) NPSR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL1553365 0.76 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHDAC1HDAC8
SCHEMBL8570078 0.76 HDAC8 (0.46) NPSR1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL1554111 0.75 HDAC1 (0.58) NPSR1ALDH1A1MAPTHDAC1HDAC8
SCHEMBL1553794 0.75 HDAC1 (0.45) NPSR1ALDH1A1MAPTLMNAHDAC1

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-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed
US-7329675-B2 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2008-02-12 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO 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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR NPSR1 43/4885L3MBTL1 4122/4885ALDH1A1 375/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 NPSR1 192/4885L3MBTL1 2102/4885ALDH1A1 2795/4885

“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.