SCHEMBL3882898

SCHEMBL3882898

N#Cc1cccc(C(Br)Br)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
ENPP2 Q13822 1/20 0.44
TSHR P16473 1/20 0.42
CLK4 Q9HAZ1 1/20 0.41
TRPA1 O75762 1/20 0.40
NOTUM Q6P988 1/20 0.40
TNF P01375 1/20 0.39
CNR1 P21554 3/20 0.39
GLA P06280 1/20 0.39
S1PR1 P21453 1/20 0.38
GRM4 Q14833 1/20 0.38
CNR2 P34972 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 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
SCHEMBL11615116 0.87 GSK3B (0.50) GSK3BENPP2TSHRCLK4TRPA1
SCHEMBL30583585 0.83 GSK3B (0.47) GSK3BENPP2CNR1GLAS1PR1
SCHEMBL27948985 0.83 GSK3B (0.51) GSK3BENPP2TSHRCLK4TRPA1
SCHEMBL6965820 0.83 TRPA1 (0.57) GSK3BENPP2TSHRCLK4TRPA1
SCHEMBL2058684 0.83 GSK3B (0.47) GSK3BENPP2CNR1GLAS1PR1
SCHEMBL4083138 0.82 ENPP2 (0.47) GSK3BENPP2TSHRCLK4TNF
SCHEMBL7307662 0.82 TSHR (0.48) GSK3BENPP2TSHRTRPA1TNF
SCHEMBL30961612 0.82 TSHR (0.48) GSK3BENPP2TSHRTRPA1TNF
SCHEMBL1500561 0.80 GSK3B (0.45) GSK3BENPP2TSHRCLK4TRPA1
SCHEMBL7353222 0.79 GSK3B (0.47) GSK3BENPP2TSHRCLK4TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-2061767-A1 ARYLAMINOARYL-ALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, PROCESSES FOR PREPARING THEM, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THEIR USE Sanofi-Aventis (FR) 2009-05-27 EP disclosed
WO-2008017381-A1 ARYLAMINOARYL-ALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, PROCESSES FOR PREPARING THEM, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THEIR USE SANOFI-AVENTIS (FR) 2008-02-14 WO disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
US-5876865-A POLYARYLENEVINYLENE RESIN XEROX CORPORATION (US) 1999-03-02 US disclosed
US-5817430-A POLYARYLENEVINYLENE POLYMER XEROX CORPORATION (US) 1998-10-06 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 (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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 GSK3B 4131/4885ENPP2 4031/4885TSHR 1683/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 GSK3B 4131/4885ENPP2 4031/4885TSHR 1683/4885

“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.