SCHEMBL95027

SCHEMBL95027

[CH2]c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
KDM4E B2RXH2 3/20 0.76
MAPK1 P28482 3/20 0.76
SLC6A7 Q99884 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
MEN1 O00255 1/20 0.68
POLB P06746 1/20 0.68
KMT2A Q03164 1/20 0.68
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
HPGD P15428 2/20 0.63
SETD7 Q8WTS6 1/20 0.62
NAMPT P43490 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL34468359 0.87 ALDH1A1 (0.78) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL12082726 0.86 KDM4E (1.00) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL8154101 0.86 SLC6A7 (1.00) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL95079 0.84 L3MBTL1 (0.74) ALDH1A1KDM4ESLC6A7L3MBTL1TSHR
SCHEMBL3579131 0.83 SLC6A7 (0.83) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL17886714 0.83 KDM4E (0.74) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL10076251 0.83 KDM4E (0.74) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL3635283 0.83 MAPK1 (0.74) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL3580034 0.83 KDM4E (0.92) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL26814963 0.83 MAPK1 (0.78) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO claimed
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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN 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-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO 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 ALDH1A1 2948/4885KDM4E 1125/4885MAPK1 173/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885KDM4E 3919/4885MAPK1 982/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885KDM4E 3919/4885MAPK1 982/4885

“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.