SCHEMBL96002

SCHEMBL96002

[CH2]c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
HDAC11 Q96DB2 1/20 0.73
HDAC8 Q9BY41 1/20 0.73
TRPV1 Q8NER1 5/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
NR1H4 Q96RI1 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NAMPT P43490 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL7303163 0.91 HDAC3 (0.86) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL21282783 0.86 HDAC3 (0.73) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7301362 0.84 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7293270 0.84 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL1687867 0.84 NPC1 (0.79) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL23352874 0.84 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL3873116 0.84 NR1H4 (0.81) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL4131602 0.84 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7296645 0.84 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7294845 0.84 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1

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 13 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-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 HDAC3 861/4885HDAC6 1080/4885HDAC11 958/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HDAC3 2606/4885HDAC6 2093/4885HDAC11 1840/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HDAC3 2606/4885HDAC6 2093/4885HDAC11 1840/4885

“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.