SCHEMBL5376965

SCHEMBL5376965

C=CCOc1ccc(C(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
FLT3 P36888 1/20 0.38
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL5393497 0.88 GAA (0.45) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL5378752 0.85 CYP3A4 (0.48) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1665801 0.81 MAPT (0.46) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL27611373 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL10524290 0.80 FLT3 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL8875743 0.79 GAA (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8787027 0.77 CYP3A4 (0.48) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL21877851 0.77 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29608478 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL600398 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2

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
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
CN-1596247-A Lactam derivatives as antagonists of the human 11CBY receptor SMITHKLINE BEECHAM PLC (GB) 2005-03-16 CN 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 ALDH1A1 2468/4885KDM4E 3403/4885L3MBTL1 3754/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS ALDH1A1 2328/4885KDM4E 3838/4885L3MBTL1 3448/4885

“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.