SCHEMBL1553674

SCHEMBL1553674

COC(=O)c1ccc(OC)c(NC(=N)CC(C)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
MAPK1 P28482 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPT P10636 4/20 0.45
HPGD P15428 1/20 0.45
LTB4R Q15722 1/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1553818 0.82 KMT2A (0.51) NPSR1KMT2APOLBMEN1HDAC1
SCHEMBL1553407 0.81 HDAC1 (0.60) KMT2APOLBMEN1HDAC1HDAC8
SCHEMBL1552923 0.79 MDH1 (0.55) KMT2APOLBMEN1HDAC1HDAC8
SCHEMBL1553419 0.79 LTB4R (0.57) KMT2APOLBHDAC1HDAC8HDAC6
SCHEMBL1553934 0.79 ALDH1A1 (0.57) NPSR1KMT2APOLBMEN1HDAC1
SCHEMBL15808417 0.79 MAPT (0.50) CYP1A2CYP3A4CYP2C19KMT2APOLB
SCHEMBL1553609 0.78 KMT2A (0.51) NPSR1KMT2APOLBMEN1HDAC1
SCHEMBL1554111 0.78 HDAC1 (0.58) NPSR1KMT2APOLBMEN1HDAC1
SCHEMBL1553849 0.78 ALDH1A1 (0.50) NPSR1KMT2APOLBMEN1HDAC1
SCHEMBL4846737 0.78 HDAC1 (0.48) NPSR1KMT2APOLBMEN1HDAC1

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 NPSR1 43/4885CYP1A2 101/4885CYP3A4 54/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 NPSR1 192/4885CYP1A2 1392/4885CYP3A4 727/4885

“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.