SCHEMBL1553818

SCHEMBL1553818

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
POLB P06746 2/20 0.50
HDAC1 Q13547 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
NPSR1 Q6W5P4 4/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LTB4R Q15722 2/20 0.45
MAPT P10636 4/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 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
SCHEMBL1553934 0.87 ALDH1A1 (0.57) KMT2AMEN1POLBHDAC1HDAC8
SCHEMBL1553365 0.84 ALDH1A1 (0.52) KMT2AMEN1POLBHDAC1HDAC8
SCHEMBL1553849 0.83 ALDH1A1 (0.50) KMT2AMEN1POLBHDAC1HDAC8
SCHEMBL4846737 0.83 HDAC1 (0.48) KMT2AMEN1POLBHDAC1HDAC8
SCHEMBL1553674 0.82 NPSR1 (0.57) KMT2AMEN1POLBHDAC1HDAC8
SCHEMBL1554573 0.82 NPSR1 (0.47) KMT2AMEN1POLBHDAC1HDAC8
SCHEMBL1554111 0.81 HDAC1 (0.58) KMT2AMEN1POLBHDAC1HDAC8
SCHEMBL1553794 0.80 HDAC1 (0.45) KMT2AMEN1POLBHDAC1HDAC8
Hydrochloric Acid SCHEMBL1579963 0.80 HDAC1 (0.56) KMT2AMEN1POLBHDAC1HDAC8
SCHEMBL13425100 0.77 MAPT (0.58) KMT2AMEN1POLBHDAC1HDAC8

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 KMT2A 4767/4885MEN1 3731/4885POLB 1006/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 KMT2A 2258/4885MEN1 3320/4885POLB 2680/4885

“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.