SCHEMBL95659

SCHEMBL95659

[CH2]c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
HSD11B1 P28845 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
ATM Q13315 1/20 0.62
SLC18A3 Q16572 1/20 0.56
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
NAMPT P43490 1/20 0.54
ACHE P22303 1/20 0.54
PARP14 Q460N5 1/20 0.53
PARP10 Q53GL7 1/20 0.53
RECQL P46063 1/20 0.52

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
SCHEMBL10720211 0.92 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL4206605 0.89 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL96155 0.87 NPC1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL13212972 0.85 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL786718 0.85 NPC1 (0.84) CA12CA1CA2CA7CA9
SCHEMBL1197337 0.84 PARP14 (0.59) CA12CA1CA2CA7CA9
SCHEMBL94625 0.82 HSD11B1 (0.70) HSD11B1ALDH1A1PARP10LMNAHPGD
SCHEMBL27860960 0.82 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL10720101 0.81 PARP14 (0.65) CA12CA1CA2CA7CA9
SCHEMBL7912433 0.81 NPC1 (0.78) CA12CA1CA2CA7CA9

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 12 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-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 CA12 3743/4885CA1 3276/4885CA2 823/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CA12 1180/4885CA1 2592/4885CA2 254/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA12 1180/4885CA1 2592/4885CA2 254/4885

“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.