SCHEMBL1553365

SCHEMBL1553365

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 4/20 0.50
CYP2C9 P11712 2/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
MDH1 P40925 1/20 0.46
MDH2 P40926 1/20 0.46
CREBBP Q92793 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL17512399 0.85 KDM4E (0.71) ALDH1A1KDM4EMAPTCYP2C9KMT2A
SCHEMBL1553818 0.84 KMT2A (0.51) ALDH1A1MAPTCYP2C9KMT2AMEN1
SCHEMBL1554272 0.84 MAPT (0.54) ALDH1A1KDM4EMAPTCYP2C9KMT2A
SCHEMBL13425100 0.84 MAPT (0.58) ALDH1A1KDM4EMAPTCYP2C9KMT2A
Hydrochloric Acid SCHEMBL2229624 0.81 MAPT (0.55) ALDH1A1KDM4EMAPTCYP2C9KMT2A
SCHEMBL1553934 0.81 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL28649485 0.80 MAPT (0.57) ALDH1A1KDM4EMAPTCYP2C9KMT2A
SCHEMBL6266977 0.80 TP53 (0.69) ALDH1A1KDM4EMAPTKMT2APOLB
SCHEMBL15808417 0.80 MAPT (0.50) ALDH1A1KDM4EMAPTCYP2C9KMT2A
SCHEMBL10748020 0.79 MAPT (0.59) ALDH1A1KDM4EMAPTCYP2C9KMT2A

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 ALDH1A1 375/4885KDM4E 3056/4885MAPT 4862/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 ALDH1A1 2795/4885KDM4E 2408/4885MAPT 4747/4885

“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.