SCHEMBL94991

SCHEMBL94991

OCn1nnnc1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.52
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
HSD11B1 P28845 2/20 0.46
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL94529 0.90 DAGLA (0.51) DAGLAALDH1A1GAAHSD11B1KDM4E
SCHEMBL94950 0.83 ALDH1A1 (0.47) DAGLAALDH1A1GAAHSD11B1KDM4E
SCHEMBL94990 0.83 DAGLA (0.52) DAGLAALDH1A1GAAHSD11B1KDM4E
SCHEMBL94949 0.76 DAGLA (0.47) DAGLAALDH1A1GAAHSD11B1KDM4E
SCHEMBL96028 0.76 SLC6A2 (0.49) DAGLAALDH1A1GAAHSD11B1KDM4E
SCHEMBL96820 0.74 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL94528 0.73 DAGLA (0.51) DAGLAALDH1A1GAAHSD11B1MEN1
SCHEMBL96780 0.73 SLC6A2 (0.47) DAGLAALDH1A1GAAKDM4ETSHR
SCHEMBL95273 0.73 ALDH1A1 (0.50) DAGLAALDH1A1TSHRMEN1KMT2A
SCHEMBL97021 0.73 SLC6A2 (0.47) DAGLAALDH1A1GAAKDM4ETSHR

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 9 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
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO 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 DAGLA 3989/4885ALDH1A1 2948/4885GAA 4574/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 DAGLA 2873/4885ALDH1A1 2458/4885GAA 4784/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 DAGLA 2873/4885ALDH1A1 2458/4885GAA 4784/4885

“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.