SCHEMBL3033007

SCHEMBL3033007

O=C(Cl)c1cc2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.74
RHEB Q15382 10/20 0.57
EIF4A3 P38919 1/20 0.47
GRIN2D O15399 3/20 0.46
GRIN3B O60391 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2B Q13224 3/20 0.46
GRIN2C Q14957 3/20 0.46
GRIN3A Q8TCU5 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 2/20 0.46
BLM P54132 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL727389 0.85 GRIN1 (1.00) GRIN1RHEBEIF4A3GRIN2DGRIN3B
SCHEMBL29531428 0.85 GRIN1 (1.00) GRIN1RHEBEIF4A3GRIN2DGRIN3B
SCHEMBL20505089 0.84 GRIN1 (0.72) GRIN1RHEBEIF4A3GRIN2DGRIN3B
SCHEMBL22529402 0.84 GRIN1 (0.72) GRIN1RHEBEIF4A3GRIN2DGRIN3B
SCHEMBL19624732 0.81 GRIN1 (0.68) GRIN1RHEBEIF4A3GRIN2DGRIN3B
SCHEMBL23111930 0.80 GRIN1 (0.66) GRIN1RHEBEIF4A3GRIN2DGRIN3B
SCHEMBL9433015 0.80 GRIN1 (0.66) GRIN1RHEBEIF4A3GRIN2DGRIN3B
SCHEMBL18510263 0.80 GRIN1 (0.66) GRIN1RHEBEIF4A3GRIN2DGRIN3B
SCHEMBL23147814 0.79 GRIN1 (0.47) GRIN1RHEBEIF4A3GRIN2DGRIN3B
SCHEMBL7951008 0.77 GRIN1 (0.62) GRIN1RHEBEIF4A3GRIN2DGRIN3B

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 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-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition CYP7A1, UGT1A1, CYP2F1 GRIN1 3072/4885RHEB 3294/4885EIF4A3 2144/4885
US-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 GRIN1 2872/4885RHEB 1258/4885EIF4A3 1239/4885

“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.