SCHEMBL5120127

SCHEMBL5120127

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
MAOA P21397 2/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.46
ROCK2 O75116 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ROCK1 Q13464 1/20 0.42
EPHX2 P34913 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL5120468 0.81 ROCK2 (0.50) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5110631 0.77 LMNA (0.55) ABCC9ABCC8KCNJ11KCNJ8MAOA
SCHEMBL5113480 0.77 ABCC9 (0.51) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5110628 0.73 ABCC9 (0.51) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5113168 0.72 ABCC9 (0.48) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6339283 0.72 NPY5R (0.57) ABCC9ABCC8KCNJ11KCNJ8MAOA
SCHEMBL5111868 0.71 MAOA (0.81) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7016633 0.69 ALDH1A1 (0.43) ALDH1A1TP53KMT2ALMNASMN1; SMN2
SCHEMBL5116247 0.68 ABCC9 (0.60) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6566546 0.68 PDE4A (0.48) ALDH1A1MAPK1TP53ROCK2KMT2A

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 5 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
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 (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-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor NPY5R, NPY1R, NPY2R ALDH1A1 3658/4885ABCC9 3402/4885ABCC8 3798/4885

“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.