SCHEMBL1553419

SCHEMBL1553419

COC(=O)c1ccc(OC)c(NC(=N)CCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
HDAC1 Q13547 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
LNPEP Q9UIQ6 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7359038 0.92 LTB4R (0.68) LTB4RSMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL1553407 0.88 HDAC1 (0.60) LTB4RSMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL1552923 0.81 MDH1 (0.55) LTB4RSMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL15808417 0.81 MAPT (0.50) SMN1; SMN2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1554111 0.80 HDAC1 (0.58) LTB4RHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1553609 0.80 KMT2A (0.51) HDAC1HDAC8HDAC6ALDH1A1HPGD
SCHEMBL1554005 0.80 MAPT (0.64) SMN1; SMN2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1553515 0.80 MAPT (0.49) LTB4RHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1553674 0.79 NPSR1 (0.57) LTB4RHDAC1HDAC8HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL1579963 0.79 HDAC1 (0.56) LTB4RHDAC1HDAC8HDAC6ALDH1A1

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 LTB4R 230/4885SMN1; SMN2 3569/4885HDAC1 879/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 LTB4R 546/4885SMN1; SMN2 3886/4885HDAC1 550/4885

“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.