SCHEMBL5378752

SCHEMBL5378752

C=CCOC(=O)c1ccc(OCC=C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8787027 0.90 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL8788296 0.88 MAPT (0.49) CYP3A4ALDH1A1KDM4EMAPTLMNA
SCHEMBL5393497 0.86 GAA (0.45) ALDH1A1TSHRKDM4EL3MBTL1MAPT
SCHEMBL5376965 0.85 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EL3MBTL1MAPT
SCHEMBL27611373 0.84 ALDH1A1 (0.37) CYP3A4ALDH1A1HSD17B10KDM4EL3MBTL1
SCHEMBL2705489 0.84 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL27611374 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL8788538 0.83 CYP3A4 (0.49) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1
SCHEMBL8787003 0.83 MAPT (0.52) CYP3A4TSHRL3MBTL1MAPTLMNA
SCHEMBL8787389 0.81 PARP1 (0.49) CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 CYP3A4 845/4885ALDH1A1 2468/4885TSHR 272/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS CYP3A4 1684/4885ALDH1A1 2328/4885TSHR 4507/4885

“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.