SCHEMBL1554527

SCHEMBL1554527

COCC(=NCl)Nc1cc(C(=O)OC)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MDH1 P40925 1/20 0.47
MDH2 P40926 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 6/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2C9 P11712 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL1554526 1.00 KMT2A (0.48) KMT2ANPSR1MDH1MDH2MAPT
SCHEMBL15808412 0.88 CYP2C9 (0.49) KMT2AMDH1MDH2MAPTALDH1A1
SCHEMBL1553609 0.83 KMT2A (0.51) KMT2ANPSR1MDH1MDH2MAPT
SCHEMBL13425267 0.80 MAPT (0.52) KMT2ANPSR1MDH1MDH2MAPT
SCHEMBL4627652 0.77 HDAC8 (0.56) KMT2ANPSR1MAPTALDH1A1CYP2C9
SCHEMBL4627898 0.77 HDAC1 (0.54) KMT2AMAPTALDH1A1TSHRHSD17B10
SCHEMBL4627896 0.77 HDAC1 (0.54) KMT2AMAPTALDH1A1TSHRHSD17B10
SCHEMBL4627655 0.77 HDAC8 (0.56) KMT2ANPSR1MAPTALDH1A1CYP2C9
SCHEMBL13425100 0.76 MAPT (0.58) KMT2AMDH1MDH2MAPTALDH1A1
SCHEMBL1554272 0.76 MAPT (0.54) KMT2AMDH1MDH2MAPTALDH1A1

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 7 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

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 KMT2A 4767/4885NPSR1 43/4885MDH1 2200/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 KMT2A 2258/4885NPSR1 192/4885MDH1 3296/4885

“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.