SCHEMBL95624

SCHEMBL95624

[CH2]c1ccc(C(=O)N2CC(C)CC(C)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
PLA2G1B P04054 1/20 0.67
ATG4B Q9Y4P1 1/20 0.67
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 2/20 0.57
HPGD P15428 3/20 0.51
RECQL P46063 1/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10722464 0.91 GAA (0.79) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL279948 0.84 GAA (0.70) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL14236894 0.83 GAA (0.68) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL3454938 0.83 GAA (0.68) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL5967832 0.83 GAA (0.68) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL3453484 0.83 GAA (0.68) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL14236778 0.82 PLA2G1B (0.87) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL15172195 0.80 PLA2G1B (0.77) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL15154927 0.80 PLA2G1B (1.00) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL14314760 0.80 CHRNB2 (0.65) GAAPLA2G1BATG4BALDH1A1KMT2A

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
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-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 GAA 4574/4885PLA2G1B 3151/4885ATG4B 3692/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 GAA 4784/4885PLA2G1B 2788/4885ATG4B 1741/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 GAA 4784/4885PLA2G1B 2788/4885ATG4B 1741/4885

“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.