SCHEMBL3288974

SCHEMBL3288974

CCC(Br)C=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTR2A P28223 3/20 0.42
RELA Q04206 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHAT P28329 1/20 0.39
CNR2 P34972 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3288977 1.00 MEN1 (0.50) MEN1KMT2AHTR2ARELAMAOB
SCHEMBL10619673 0.83 MAOB (0.42) MEN1KMT2AHTR2AMAOBCYP1A2
SCHEMBL29055535 0.83 MAOB (0.42) MEN1KMT2AHTR2AMAOBCYP1A2
SCHEMBL27689872 0.82 MEN1 (0.46) MEN1KMT2AHTR2ARELAMAOB
SCHEMBL9426848 0.80 MEN1 (0.51) MEN1KMT2AHTR2ARELAMAOB
SCHEMBL16874337 0.78 MEN1 (0.50) MEN1KMT2AHTR2ARELAMAOB
Iodide SCHEMBL31210332 0.78 MEN1 (0.50) MEN1KMT2AHTR2ARELAMAOB
SCHEMBL489023 0.78 MEN1 (0.50) MEN1KMT2AHTR2ARELAMAOB
SCHEMBL11861151 0.77 CHAT (0.46) MEN1KMT2AHTR2ARELAMAOB
SCHEMBL11983844 0.77 CHAT (0.46) MEN1KMT2AHTR2ARELAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718815-B2 Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-05-18 US disclosed
US-20080132567-A1 Alpha-Aminoamide Derivatives Useful in the Treatment of Lower Urinary Tract Disorders NEWRON PHARMACUETICALS S.P.A (IT) 2008-06-05 US disclosed
WO-2005070405-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF LOWER URINARY TRACT DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-08-04 WO disclosed
EP-1557166-A1 Alpha-aminoamide derivatives useful in the treatment of lower urinary tract disorders Newron Pharmaceuticals S.p.A. (IT) 2005-07-27 EP disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP 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-20080132567-A1 Alpha-Aminoamide Derivatives Useful in the Treatment of Lower Urinary Tract Disorders AADAT, BCAT2, DNPEP MEN1 2153/4885KMT2A 1010/4885HTR2A 1320/4885

“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.