SCHEMBL13598452

SCHEMBL13598452

COc1ccc(CC2SC(=O)NC2=O)c2c1N(CC1CCN(c3ccc(C)cc3)CC1)C(=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.41
▸ PTPN1 P18031 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ CISD1 Q9NZ45 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL98238 0.86 CA2 (0.46) CA2PTPN1HRH3MAOACISD1
SCHEMBL97408 0.85 CA2 (0.41) CA2PTPN1HRH3LMNATHRB
SCHEMBL95362 0.83 DRD2 (0.36) CA2LMNAMAOACISD1MAPT
SCHEMBL98463 0.83 BACE1 (0.43) CA2GPR119KMT2A
SCHEMBL13598466 0.80 CA2 (0.51) CA2PTPN1LMNAMAPT
SCHEMBL97338 0.78 CA2 (0.49) CA2PTPN1MAOACISD1MAPT
SCHEMBL94894 0.76 CA2 (0.47) CA2PTPN1HRH3MAPTALDH1A1
SCHEMBL95628 0.75 MAPT (0.47) CA2PTPN1HRH3MAOACISD1
SCHEMBL95913 0.75 CA2 (0.46) CA2PTPN1HRH3LMNAMAPT
SCHEMBL94951 0.74 HRH3 (0.38) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — 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 (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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CA2 823/4885PTPN1 1236/4885HRH4 1980/4885

“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.

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