SCHEMBL94920

SCHEMBL94920

[CH2]c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
RECQL P46063 1/20 0.54
PARP1 P09874 9/20 0.54
SLC6A7 Q99884 1/20 0.53
PANK3 Q9H999 1/20 0.53
PARP2 Q9UGN5 8/20 0.52
PARP3 Q9Y6F1 8/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
TNKS O95271 1/20 0.52
PARP6 Q2NL67 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
HDAC2 Q92769 1/20 0.50
HSD11B1 P28845 1/20 0.50

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
SCHEMBL5901321 0.81 KDM4E (0.68) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL14566007 0.80 KDM4E (0.62) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL29678394 0.80 KDM4E (0.65) KDM4EALDH1A1TDP1RECQLPARP1
SCHEMBL13862949 0.80 KDM4E (0.65) KDM4EALDH1A1TDP1RECQLPARP1
SCHEMBL26295625 0.79 ALDH1A1 (0.69) KDM4EALDH1A1TDP1PARP1PARP2
SCHEMBL4421904 0.78 PARP1 (0.59) KDM4EALDH1A1TDP1PARP1PARP2
SCHEMBL12203374 0.78 PARP1 (0.63) KDM4EALDH1A1TDP1PARP1PANK3
SCHEMBL95079 0.78 L3MBTL1 (0.74) KDM4EALDH1A1SLC6A7
SCHEMBL2076147 0.78 ALDH1A1 (0.60) KDM4EALDH1A1TDP1RECQLPANK3
SCHEMBL6235112 0.77 KDM4E (0.61) KDM4EALDH1A1TDP1RECQLPARP1

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 KDM4E 1125/4885ALDH1A1 2948/4885TDP1 3588/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KDM4E 3919/4885ALDH1A1 2458/4885TDP1 4079/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KDM4E 3919/4885ALDH1A1 2458/4885TDP1 4079/4885

“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.