SCHEMBL98464

SCHEMBL98464

COc1ccc(CC2SC(=O)NC2=O)c2c1N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.43
▸ PTPN1 P18031 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL94894 0.89 CA2 (0.47) CA2PTPN1ALDH1A1MEN1KMT2A
SCHEMBL95913 0.88 CA2 (0.46) CA2PTPN1ALDH1A1SMN1; SMN2MEN1
SCHEMBL95628 0.88 MAPT (0.47) CA2PTPN1ALDH1A1MEN1KMT2A
SCHEMBL98093 0.86 CA2 (0.45) CA2PTPN1ALDH1A1HTTMEN1
SCHEMBL95205 0.86 CA2 (0.45) CA2PTPN1ALDH1A1NPSR1PPARG
SCHEMBL96109 0.85 CA2 (0.44) CA2PTPN1ALDH1A1HTTSMN1; SMN2
SCHEMBL13598447 0.85 CA2 (0.44) CA2PTPN1ALDH1A1MEN1KMT2A
SCHEMBL13602443 0.85 CA2 (0.48) CA2PTPN1ALDH1A1MEN1KMT2A
SCHEMBL98668 0.83 PTPN1 (0.45) CA2PTPN1ALDH1A1MEN1KMT2A
SCHEMBL95070 0.83 CA2 (0.48) CA2PTPN1MEN1KMT2APPARG

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-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CA2 254/4885PTPN1 1691/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA2 254/4885PTPN1 1691/4885ALDH1A1 2458/4885

“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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