Sugi Predict

Sugi Predict / Compounds / SCHEMBL95662

SCHEMBL95662

SCHEMBL95662

CN(c1ccccc1)c1ccc([C]=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ CHKA P35790 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.37

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
SCHEMBL7155149 0.81 NR3C2 (0.56) NR3C2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL16335173 0.80 APP (0.55) NR3C2SMN1; SMN2MEN1KMT2ALMNA
Trimethylammonium SCHEMBL27539624 0.79 NPSR1 (0.45) MEN1KMT2AHPGDNPSR1ALDH1A1
SCHEMBL149439 0.78 TSHR (0.54) NR3C2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20385081 0.78 MEN1 (0.52) NR3C2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31886 0.78 MEN1 (0.52) NR3C2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6567354 0.78 MEN1 (0.52) NR3C2SMN1; SMN2MEN1KMT2ALMNA
Benzene SCHEMBL14537401 0.78 MEN1 (0.52) NR3C2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL22931682 0.78 MEN1 (0.52) NR3C2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL194965 0.77 ALDH1A1 (0.58) SMN1; SMN2MEN1KMT2AHPGDMAPK1

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-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-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 NR3C2 179/4885SMN1; SMN2 3998/4885MEN1 4401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NR3C2 237/4885SMN1; SMN2 3084/4885MEN1 3912/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NR3C2 237/4885SMN1; SMN2 3084/4885MEN1 3912/4885

“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.