SCHEMBL97125

SCHEMBL97125

[CH2]c1ccc(C(=O)N2CCSCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.69
ALDH1A1 P00352 2/20 0.69
HSD17B10 Q99714 1/20 0.69
L3MBTL3 Q96JM7 2/20 0.46
GRM5 P41594 1/20 0.46
MAPK1 P28482 1/20 0.43
MLYCD O95822 2/20 0.42
POLB P06746 1/20 0.42
PHGDH O43175 1/20 0.42
MBTD1 Q05BQ5 1/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL94847 0.89 HPGD (0.56) HPGDALDH1A1HSD17B10L3MBTL3GRM5
SCHEMBL4506219 0.83 HPGD (0.71) HPGDALDH1A1HSD17B10L3MBTL3GRM5
SCHEMBL2538732 0.82 HPGD (0.76) HPGDALDH1A1L3MBTL3MAPK1MLYCD
SCHEMBL3152770 0.81 HPGD (0.69) HPGDALDH1A1HSD17B10L3MBTL3GRM5
SCHEMBL18920327 0.81 HPGD (0.69) HPGDALDH1A1HSD17B10L3MBTL3GRM5
SCHEMBL20460602 0.81 HPGD (1.00) HPGDALDH1A1HSD17B10
SCHEMBL20460601 0.81 HPGD (0.69) HPGDALDH1A1HSD17B10L3MBTL3GRM5
SCHEMBL19253607 0.81 HPGD (0.70) HPGDALDH1A1HSD17B10L3MBTL3POLB
SCHEMBL95736 0.81 HPGD (0.80) HPGDALDH1A1L3MBTL3MAPK1MLYCD
SCHEMBL947052 0.81 HPGD (0.68) HPGDALDH1A1HSD17B10GRM5MAPK1

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 11 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
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 (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 HPGD 2146/4885ALDH1A1 2948/4885HSD17B10 1533/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HPGD 2322/4885ALDH1A1 2458/4885HSD17B10 2568/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HPGD 2322/4885ALDH1A1 2458/4885HSD17B10 2568/4885

“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.