SCHEMBL97484

SCHEMBL97484

[CH2]c1ccc(C(=O)N(C)CCCCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HDAC6 Q9UBN7 10/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NAMPT P43490 1/20 0.46
CNR2 P34972 1/20 0.46
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
PDK2 Q15119 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL27619398 0.98 HDAC6 (0.49) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL11133367 0.90 HDAC6 (0.55) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL24673682 0.85 L3MBTL1 (0.49) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL11133366 0.83 TP53 (0.53) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL8391468 0.83 HSD17B3 (0.56) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL6013406 0.83 HDAC6 (0.55) HDAC6NAMPTGAAHPGD
SCHEMBL24505748 0.82 ALDH1A1 (0.53) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL7517981 0.81 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5178440 0.81 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL23146101 0.81 HDAC4 (0.48) ALDH1A1HDAC6HDAC3HDAC4HDAC1

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 10 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
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 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

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 2948/4885HDAC6 1080/4885HDAC3 861/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885HDAC6 2093/4885HDAC3 2606/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885HDAC6 2093/4885HDAC3 2606/4885

“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.