SCHEMBL13846754

SCHEMBL13846754

O=C1NC(=O)C(Cc2c[nH]c3cc(Br)ccc23)S1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.50
FFAR1 O14842 2/20 0.45
PPARA Q07869 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
IDO1 P14902 1/20 0.44
CA2 P00918 1/20 0.43
KCNH2 Q12809 1/20 0.42
MAOA P21397 2/20 0.42
CISD1 Q9NZ45 2/20 0.42
MAPT P10636 1/20 0.42
CYP2A6 P11509 1/20 0.40
SLC6A4 P31645 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
HTR2A P28223 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL8932687 0.81 IDO1 (0.54) HTR2CIDO1MAPTCYP2A6SLC6A4
SCHEMBL13846733 0.79 NPC1 (0.59) CA2MAOACISD1ALDH1A1GPR84
SCHEMBL29764785 0.77 AKT1 (0.42) IDO1CA2KCNH2MAOACISD1
SCHEMBL13846730 0.73 NQO2 (0.50) CA2KCNH2MAPT
SCHEMBL24144797 0.71 CHRNB2 (0.59) HTR2CCHRNB2CHRNA7CHRNA4CYP2A6
SCHEMBL15912499 0.71 CHRNB2 (0.64) HTR2CCHRNB2CHRNA7CHRNA4IDO1
SCHEMBL27929613 0.70 GPR84 (0.72) CHRNB2CHRNA7CHRNA4MAPTCYP2A6
SCHEMBL8192792 0.70 NPC1 (0.57) CA2ALDH1A1GPR84
SCHEMBL31422462 0.70 FFAR1 (0.73) FFAR1PPARACA2MAOACISD1
SCHEMBL8932766 0.69 IDO1 (0.60) HTR2CIDO1CA2MAPTCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 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-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB HTR2C 3416/4885FFAR1 814/4885PPARA 1190/4885

“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.