SCHEMBL2967396

SCHEMBL2967396

[CH2]c1ccc(C(=O)N(CC(C)C)CC(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.63
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 1/20 0.43
SLC6A9 P48067 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 2/20 0.41
LMNA P02545 2/20 0.41
FPR1 P21462 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5543735 0.82 HPGD (0.61) MLYCDALDH1A1HPGDMAPTHSP90AA1
SCHEMBL1004360 0.81 MLYCD (0.62) MLYCDALDH1A1HPGDMAPTLPAR1
SCHEMBL5543209 0.76 MLYCD (0.62) MLYCDALDH1A1HPGDMAPTL3MBTL1
SCHEMBL12482771 0.75 HPGD (0.54) MLYCDALDH1A1HPGDMAPTLMNA
SCHEMBL3456913 0.74 MLYCD (0.54) MLYCDALDH1A1MAPTLPAR1LPAR5
SCHEMBL11218358 0.74 TSHR (0.57) MLYCDHPGDSLC6A9HSP90AA1HSP90AB1
SCHEMBL3099164 0.74 MLYCD (1.00) MLYCDSMN1; SMN2
SCHEMBL1003664 0.73 HPGD (0.69) MLYCDALDH1A1HPGDMAPTL3MBTL1
SCHEMBL97482 0.73 EGFR (0.60) MLYCDALDH1A1HPGD
SCHEMBL16308028 0.73 MLYCD (0.53) MLYCDALDH1A1HPGDSLC6A9HSP90AA1

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 12 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
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-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 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 MLYCD 4635/4885ALDH1A1 2948/4885HPGD 2146/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MLYCD 3616/4885ALDH1A1 2458/4885HPGD 2322/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MLYCD 3616/4885ALDH1A1 2458/4885HPGD 2322/4885

“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.