SCHEMBL2679082

SCHEMBL2679082

NCc1ccc(-c2nnn[nH]2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.37
PNMT P11086 2/20 0.35
DPP4 P27487 1/20 0.32

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
SCHEMBL703287 0.80 AHR (0.48) HRH1
SCHEMBL12479412 0.79
SCHEMBL4399156 0.79 ALDH1A1 (0.52) HRH1
SCHEMBL4083350 0.76 TSHR (0.39) HRH1
SCHEMBL8217792 0.76 ESR2 (0.46)
SCHEMBL23291740 0.76 KDM4E (0.33) HRH1
SCHEMBL6788959 0.76 ALDH1A1 (0.45)
SCHEMBL20339909 0.75 HRH1 (0.31) HRH1
SCHEMBL8811027 0.73 HRH3 (0.48)
SCHEMBL20339943 0.72 NPBWR1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212032-B2 sEH inhibitors and their use GLAXOSMITHKLINE LLC. (US) 2012-07-03 US disclosed
US-8212032-B2 sEH inhibitors and their use GLAXOSMITHKLINE LLC. (US) 2012-07-03 US disclosed
US-8212032-B2 sEH inhibitors and their use GLAXOSMITHKLINE LLC. (US) 2012-07-03 US disclosed
US-8173805-B2 sEH inhibitors and their use GlaxoSmithKline, LLC (US) 2012-05-08 US disclosed
US-8173805-B2 sEH inhibitors and their use GlaxoSmithKline, LLC (US) 2012-05-08 US disclosed
US-8173805-B2 sEH inhibitors and their use GlaxoSmithKline, LLC (US) 2012-05-08 US disclosed
US-20100249137-A1 Novel sEH Inhibitors and Their Use GlaxoSmithKline, LLC 2010-09-30 US disclosed
US-20100249137-A1 Novel sEH Inhibitors and Their Use GlaxoSmithKline, LLC 2010-09-30 US disclosed
US-20100249137-A1 Novel sEH Inhibitors and Their Use GlaxoSmithKline, LLC 2010-09-30 US disclosed
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE GLAXOSMITHKLINE LLC 2010-08-19 US disclosed
WO-2009049157-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 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-20100249137-A1 Novel sEH Inhibitors and Their Use NCEH1, CTH, EPHX1 HRH1 20/4885PNMT 348/4885DPP4 528/4885
US-20100210656-A1 NOVEL sEH INHIBITORS AND THEIR USE NCEH1, EPHX1, FAH HRH1 29/4885PNMT 780/4885DPP4 954/4885

“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.