SCHEMBL4638849

SCHEMBL4638849

[O-][n+]1ccccc1NCCCBr

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
Bromide SCHEMBL4638146 0.98 LMNA (0.33) LMNAHTTALDH1A1MAPTKDM4E
SCHEMBL852975 0.82 POLB (0.40) LMNAHTTALDH1A1MAPTKDM4E
SCHEMBL14182015 0.82 NPSR1 (0.38) LMNAHTTALDH1A1MAPTKDM4E
SCHEMBL3217738 0.81 MAPT (0.42) LMNAHTTALDH1A1MAPTKDM4E
SCHEMBL1441268 0.81 KCNH3 (0.41) LMNAALDH1A1MAPT
SCHEMBL6177680 0.79 KCNH3 (0.42) LMNAHTTALDH1A1MAPTKDM4E
SCHEMBL6951347 0.78 CA12 (0.38) LMNAHTTALDH1A1KDM4ETDP1
SCHEMBL6860751 0.77 SLC2A1 (0.47) LMNAHTTALDH1A1MAPTKDM4E
Bromide SCHEMBL7169789 0.73
SCHEMBL7711293 0.72 SLC2A1 (0.49) LMNAALDH1A1MAPTKDM4ETDP1

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
EP-1628949-A4 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORP (US) 2008-07-02 EP disclosed
US-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed
US-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed
US-20060194786-A1 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
EP-1628949-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2006-03-01 EP disclosed
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
WO-2004089890-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 WO disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20060194786-A1 Process and intermediates for preparing benzazepines CYP2E1, CYP1B1, CYP3A4 LMNA 692/4885HTT 3368/4885ALDH1A1 279/4885
US-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR LMNA 346/4885HTT 4663/4885ALDH1A1 2759/4885

“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.