SCHEMBL7074727

SCHEMBL7074727

O=S1(=O)N=C(NCC2CCCCC2)Nc2cc(Cl)sc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 11/20 0.40
KCNJ11 Q14654 11/20 0.40
CA2 P00918 1/20 0.33
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
BACE1 P56817 1/20 0.32
CHRM4 P08173 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ASPH Q12797 1/20 0.32
RIOX2 Q8IUF8 1/20 0.32
KDM8 Q8N371 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 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
SCHEMBL7075256 0.81 ABCC8 (0.43) ABCC8KCNJ11MEN1KMT2AGRIA1
SCHEMBL7077604 0.80 ABCC8 (0.44) ABCC8KCNJ11GRIA1GRIA2GRIA3
SCHEMBL7078790 0.79 ABCC8 (0.44) ABCC8KCNJ11GRIA1GRIA2GRIA3
SCHEMBL7078582 0.79 ABCC8 (0.42) ABCC8KCNJ11CA2GRIA1GRIA2
SCHEMBL7943966 0.79 ALDH1A1 (0.41) ABCC8KCNJ11HTR3AHRH4BACE1
SCHEMBL7079077 0.78 ABCC8 (0.43) ABCC8KCNJ11CA2
SCHEMBL7952679 0.78 ABCC8 (0.52) ABCC8KCNJ11HTR3AHRH4
SCHEMBL7067978 0.78 ABCC8 (0.46) ABCC8KCNJ11GRIA1GRIA2GRIA3
SCHEMBL7077745 0.77 ABCC8 (0.42) ABCC8KCNJ11GRIA1GRIA2GRIA3
SCHEMBL4256388 0.76 ABCC8 (0.45) ABCC8KCNJ11

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-20030235583-A1 Combined use of a modulator of CD3 and a beta cell resting compound NOVO NORDISK A/S (DK) 2003-12-25 US claimed
US-20030125323-A1 Use of selective potassium channel openers NOVO NORDISK A/S (DK) 2003-07-03 US claimed
US-20030109519-A1 Use of selective potassium channel openers NOVO NORDISK (DK) 2003-06-12 US claimed
US-20020028808-A1 Use of potassium channel agonists for the treatment of cancer NOVO NORDISK A/S (DK) 2002-03-07 US claimed
US-6225310-B1 Fused 1,2,4-thiadiazine derivatives, their preparation and use NOVO NORDISK A/S (DK) 2001-05-01 US claimed
US-20030235583-A1 Combined use of a modulator of CD3 and a beta cell resting compound NOVO NORDISK A/S (DK) 2003-12-25 US disclosed
US-20030125323-A1 Use of selective potassium channel openers NOVO NORDISK A/S (DK) 2003-07-03 US disclosed
US-20030109519-A1 Use of selective potassium channel openers NOVO NORDISK (DK) 2003-06-12 US disclosed
US-20020035106-A1 Use of potassium channel agonists for reducing fat food consumption NOVO NORDISK A/S (DK) 2002-03-21 US disclosed
US-20020028808-A1 Use of potassium channel agonists for the treatment of cancer NOVO NORDISK A/S (DK) 2002-03-07 US disclosed
US-6225310-B1 Fused 1,2,4-thiadiazine derivatives, their preparation and use NOVO NORDISK A/S (DK) 2001-05-01 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 (5 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-20030125323-A1 Use of selective potassium channel openers KCNJ11, KCNJ1, KCNJ2 ABCC8 73/4885KCNJ11 1/4885CA2 1165/4885
US-20030109519-A1 Use of selective potassium channel openers KCNJ11, KCNJ2, KCNJ1 ABCC8 63/4885KCNJ11 1/4885CA2 1241/4885
US-20020028808-A1 Use of potassium channel agonists for the treatment of cancer KCNN3, KCNN1, KCNN2 ABCC8 944/4885KCNJ11 7/4885CA2 413/4885
US-20030235583-A1 Combined use of a modulator of CD3 and a beta cell resting compound CD69, IAPP, CD4 ABCC8 3372/4885KCNJ11 1274/4885CA2 2011/4885
US-20020035106-A1 Use of potassium channel agonists for reducing fat food consumption KCNN3, KCNN2, KCNN1 ABCC8 985/4885KCNJ11 13/4885CA2 841/4885

“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.