SCHEMBL4854039

SCHEMBL4854039

COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.62
NR1H2 P55055 1/20 0.62
UTS2R Q9UKP6 2/20 0.60
KMT2A Q03164 2/20 0.58
CASP3 P42574 1/20 0.58
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
HTT P42858 1/20 0.56
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL29195353 0.90 NR1H3 (0.55) NR1H3NR1H2UTS2RKMT2ACASP3
SCHEMBL10926180 0.88 CASP3 (0.56) UTS2RKMT2ACASP3RXFP1HTT
SCHEMBL2030026 0.87 ALDH1A1 (0.55) UTS2RKMT2ACASP3ALDH1A1RXFP1
SCHEMBL3024201 0.87 CASP3 (0.58) UTS2RKMT2ACASP3ALDH1A1RXFP1
SCHEMBL6336921 0.87 CASP3 (0.58) KMT2ACASP3ALDH1A1LMNARXFP1
SCHEMBL18669081 0.87 TDP1 (0.70) UTS2RKMT2ACASP3ALDH1A1LMNA
SCHEMBL7945209 0.87 CASP3 (0.55) UTS2RKMT2ACASP3LMNARXFP1
SCHEMBL6777806 0.87 RXFP1 (0.60) KMT2ACASP3LMNARXFP1HTT
SCHEMBL21503296 0.86 UTS2R (0.49) NR1H3NR1H2UTS2RKMT2ACASP3
SCHEMBL2564990 0.85 CASP3 (0.53) UTS2RKMT2ACASP3RXFP1HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 WO disclosed
US-7390870-B2 Immune-enhancing peptides POSCO (KR) 2008-06-24 US disclosed
US-7329761-B2 Substituted imides CELGENE CORPORATION (US) 2008-02-12 US disclosed
EP-0800514-B1 SUBSTITUTED IMIDES AS TNF INHIBITORS CELGENE CORP (US) 2006-08-23 EP disclosed
US-20050090516-A1 Novel substituted imides MULLER GEORGE W (US) 2005-04-28 US disclosed
US-6844359-B2 Substituted imides CELGENE CORPORATION (US) 2005-01-18 US disclosed
US-20030055001-A1 Immune-enhancing peptides POSCO (KR) 2003-03-20 US disclosed
US-20020143027-A1 Novel substituted imides MULLER GEORGE W (US) 2002-10-03 US disclosed
US-6429221-B1 INHIBITORS OF TUMOR NECROSIS FACTOR; USED TO TREAT CACHEXIA, ENDOTOXIC SHOCK, AND RETROVIRUS REPLICATION CELGENE CORPORATION 2002-08-06 US disclosed
WO-1996020926-A9 SUBSTITUTED IMIDES AS TNF INHIBITORS 1996-09-26 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-20020143027-A1 Novel substituted imides TNF, MIF, TNFRSF1A NR1H3 4579/4885NR1H2 4447/4885UTS2R 3402/4885
US-20050090516-A1 Novel substituted imides TNF, MIF, TNFRSF1A NR1H3 4601/4885NR1H2 4462/4885UTS2R 3358/4885

“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.