SCHEMBL98353

SCHEMBL98353

CCCCCOC(=O)Nc1ccc(CN2C(=O)CCc3c(CC4SC(=O)NC4=O)ccc(OC)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ MAPT P10636 4/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ NPC1 O15118 6/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL97433 0.99 CA2 (0.37) CA2MAPTPTPN1NPC1RAB9A
SCHEMBL13598457 0.88 TGM2 (0.39) CA2MAPTPTPN1FFAR1LMNA
SCHEMBL13598458 0.86 CA2 (0.45) CA2MAPTPTPN1SMN1; SMN2KMT2A
SCHEMBL13598454 0.83 CA2 (0.39) CA2MAPTPTPN1RAB9ASMN1; SMN2
SCHEMBL98668 0.82 PTPN1 (0.45) CA2MAPTPTPN1TP53KMT2A
SCHEMBL98093 0.81 CA2 (0.45) CA2MAPTPTPN1KMT2AFFAR1
SCHEMBL95628 0.81 MAPT (0.47) CA2MAPTPTPN1TP53KMT2A
SCHEMBL95913 0.81 CA2 (0.46) CA2MAPTPTPN1SMN1; SMN2TP53
SCHEMBL98176 0.80 ABCB1 (0.43) CA2MAPTPTPN1NPC1RAB9A
SCHEMBL13598447 0.79 CA2 (0.44) CA2MAPTPTPN1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 — — US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 — — US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US disclosed
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
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — 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 (3 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 823/4885MAPT 4112/4885PTPN1 1236/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CA2 254/4885MAPT 4773/4885PTPN1 1691/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA2 254/4885MAPT 4773/4885PTPN1 1691/4885

“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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