SCHEMBL95117

SCHEMBL95117

O=[C]OCCNC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.37
RAD52 P43351 1/20 0.37
CXCR4 P61073 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HPGD P15428 1/20 0.36
CXCL12 P48061 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL96895 0.87 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2CXCR4CXCL12
SCHEMBL94780 0.86 KDM4E (0.46) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL94791 0.85 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2CXCR4CXCL12
SCHEMBL94620 0.85 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2CXCR4CXCL12
SCHEMBL21842123 0.74 SMN1; SMN2 (0.54) KDM4ECYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL21842124 0.74 SMN1; SMN2 (0.54) KDM4ECYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL21842364 0.74 SMN1; SMN2 (0.54) KDM4ECYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL23634793 0.72 KDM4E (0.45) KDM4ECYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL2774793 0.72 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL3530758 0.72 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19L3MBTL1

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 13 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-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 KDM4E 1125/4885CYP1A2 3062/4885CYP2D6 3834/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KDM4E 3919/4885CYP1A2 1412/4885CYP2D6 1754/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KDM4E 3919/4885CYP1A2 1412/4885CYP2D6 1754/4885

“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.