SCHEMBL95079

SCHEMBL95079

[CH2]c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.74
SLC6A7 Q99884 17/20 0.72
ALDH1A1 P00352 1/20 0.72
TSHR P16473 1/20 0.72
KDM4E B2RXH2 1/20 0.68
SLC6A3 Q01959 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
SCHEMBL220133 0.85 L3MBTL1 (0.74) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL13149359 0.85 SLC6A7 (0.92) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL95027 0.84 ALDH1A1 (0.76) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL13149314 0.81 SLC6A7 (0.92) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL3583053 0.81 SLC6A7 (1.00) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL3585264 0.81 SLC6A7 (1.00) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL3583123 0.81 SLC6A7 (1.00) L3MBTL1SLC6A7ALDH1A1TSHRSLC6A3
SCHEMBL13149365 0.81 SLC6A7 (0.70) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL13149347 0.81 SLC6A7 (0.92) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E
SCHEMBL3574729 0.80 SLC6A7 (1.00) L3MBTL1SLC6A7ALDH1A1TSHRKDM4E

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 L3MBTL1 1099/4885SLC6A7 4007/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 L3MBTL1 262/4885SLC6A7 4311/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 L3MBTL1 262/4885SLC6A7 4311/4885ALDH1A1 2458/4885

“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.