SCHEMBL1346777

SCHEMBL1346777

CCN(C(=O)c1ccc2[nH]c(C(=O)O)c(CCCN)c2c1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
PPARG P37231 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
PRNP P04156 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PSMD14 O00487 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
MDM2 Q00987 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL1345416 0.82 MAPKAPK2 (0.45) KDM4ENPSR1ALDH1A1HPGDHSD17B10
SCHEMBL1345226 0.81 PLTP (0.36) KDM4EPPARGRXFP1PRNPCYP1A2
SCHEMBL1345685 0.81 KDM4E (0.56) KDM4EPPARGRXFP1PRNPCYP1A2
SCHEMBL1346090 0.79 KDM4E (0.51) KDM4EPPARGRXFP1PRNPCYP1A2
SCHEMBL1345432 0.77 CNR1 (0.48) KDM4EPPARGRXFP1PRNPCYP1A2
SCHEMBL1346773 0.77 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5634953 0.77 HTR1D (0.58) KDM4EPPARGRXFP1PRNPCYP1A2
SCHEMBL4784285 0.74 TP53 (0.55) KDM4ERXFP1ALDH1A1HPGDHSD17B10
SCHEMBL1343751 0.74 RXFP1 (0.67) KDM4EPPARGRXFP1PRNPCYP1A2
SCHEMBL1345355 0.74 MAPT (0.54) KDM4ERXFP1ALDH1A1POLBMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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 (1 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-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS MAPKAPK2, IL2, MAP3K2 KDM4E 2027/4885PPARG 1180/4885RXFP1 3760/4885

“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.