SCHEMBL5113480

SCHEMBL5113480

CC(Cc1ccncc1)C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.51
ABCC8 Q09428 1/20 0.51
KCNJ11 Q14654 1/20 0.51
KCNJ8 Q15842 1/20 0.51
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.40
NPY5R Q15761 1/20 0.39
HDAC1 Q13547 1/20 0.38

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
SCHEMBL5110628 0.83 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL5116247 0.80 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6339286 0.79 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL5110631 0.79 LMNA (0.55) ABCC9ABCC8KCNJ11KCNJ8MAOA
SCHEMBL5113168 0.78 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL5120127 0.77 ALDH1A1 (0.57) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL5120468 0.77 ROCK2 (0.50) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL5111868 0.73 MAOA (0.81) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL5120869 0.72 ALDH1A1 (0.52) ALDH1A1CYP3A4KMT2AMEN1NPC1
SCHEMBL6416133 0.70 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US disclosed
US-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-09-22 US disclosed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US disclosed
CN-1440401-A Amino substituted dibenzothiophene derivatives for treatmnt of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2003-09-03 CN disclosed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 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-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor NPY5R, NPY1R, NPY2R ABCC9 3402/4885ABCC8 3798/4885KCNJ11 3207/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R ABCC9 4182/4885ABCC8 4453/4885KCNJ11 3483/4885

“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.