SCHEMBL3016464

SCHEMBL3016464

NCc1ccc(Cl)c(Oc2cc(Br)cc(F)c2Cl)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
CHRM5 P08912 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CCR5 P51681 1/20 0.32
MET P08581 1/20 0.31
MEP1B Q16820 1/20 0.30
CAMK2A Q9UQM7 1/20 0.30

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
SCHEMBL3032773 0.88 MEP1B (0.33) CHRM5HTR2ASLC6A4KCNH2MET
SCHEMBL3033155 0.81 CYP3A4 (0.39) PNMTHTR2ASLC6A4KCNH2PDCD1LG2
SCHEMBL3030935 0.80 SCN9A (0.34) MET
SCHEMBL3033047 0.77 CYP3A4 (0.38) PNMTHTR2ASLC6A4KCNH2PDCD1LG2
SCHEMBL3034604 0.73 CYP3A4 (0.36) PNMTHTR2ASLC6A4KCNH2PDCD1LG2
SCHEMBL3029146 0.73 CYP3A4 (0.47) HTR2ASLC6A4KCNH2
SCHEMBL3027583 0.72 HSPB1 (0.40) SLC6A4
SCHEMBL3639500 0.72 KCNH2 (0.39) HTR2ASLC6A4KCNH2
Bromide SCHEMBL3636700 0.71 KCNH2 (0.39) HTR2ASLC6A4KCNH2
SCHEMBL3029326 0.70 HTR1B (0.42) PNMT

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 4 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

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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 PNMT 76/4885CHRM5 3779/4885HTR2A 4444/4885

“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.