SCHEMBL417540

SCHEMBL417540

CC(C(N)=O)c1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.64
KDM4E B2RXH2 5/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FLT3 P36888 1/20 0.47
DAO P14920 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
SRD5A2 P31213 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
AOC3 Q16853 2/20 0.43
BRD4 O60885 1/20 0.42
DDO Q99489 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL1767751 0.85 ALOX5 (0.57) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL29875597 0.85 ALOX5 (0.57) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL27502588 0.84 ALOX5 (0.58) ALOX5KDM4ELMNATP53L3MBTL1
Hydrochloric Acid SCHEMBL6471560 0.83 ALOX5 (0.57) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL2350318 0.82 ALOX5 (0.55) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL6193534 0.81 ALOX5 (0.54) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL7321932 0.81 ALOX5 (0.57) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL7826463 0.80 ALOX5 (0.59) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL1464939 0.78 HPGD (0.53) ALOX5KDM4ELMNATP53L3MBTL1
SCHEMBL9602544 0.78 ALOX5 (1.00) ALOX5KDM4ELMNATP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 US disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 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 (8 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB ALOX5 1167/4885KDM4E 1244/4885LMNA 2529/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 ALOX5 669/4885KDM4E 1503/4885LMNA 1371/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 ALOX5 255/4885KDM4E 2069/4885LMNA 2370/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB ALOX5 1502/4885KDM4E 3102/4885LMNA 4540/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB ALOX5 1167/4885KDM4E 1244/4885LMNA 2529/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB ALOX5 1623/4885KDM4E 2640/4885LMNA 4447/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 ALOX5 774/4885KDM4E 1640/4885LMNA 1220/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB ALOX5 1562/4885KDM4E 2863/4885LMNA 4560/4885

“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.