SCHEMBL95033

SCHEMBL95033

[CH2]c1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.72
HDAC2 Q92769 2/20 0.72
HDAC8 Q9BY41 2/20 0.72
HPGD P15428 1/20 0.68
LMNA P02545 1/20 0.66
RAB9A P51151 1/20 0.66
HDAC1 Q13547 3/20 0.65
ROCK2 O75116 1/20 0.62
RPS6KA5 O75582 1/20 0.62
MAP4K4 O95819 1/20 0.62
PRKCG P05129 1/20 0.62
PRKACA P17612 1/20 0.62
RPS6KB1 P23443 1/20 0.62
MAPK1 P28482 1/20 0.62
AKT1 P31749 1/20 0.62
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
PRKX P51817 1/20 0.62
PRKCD Q05655 1/20 0.62
PRKG2 Q13237 1/20 0.62

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
SCHEMBL11900090 0.91 HDAC6 (0.85) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL28648926 0.88 HDAC6 (0.70) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL457082 0.87 HDAC6 (0.79) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL4747957 0.85 NR1H4 (0.81) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL6843720 0.85 HDAC6 (0.77) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL29184442 0.85 HDAC6 (0.76) HDAC6HDAC2HDAC8HPGDLMNA
Hydrochloric Acid SCHEMBL3757721 0.85 HDAC6 (0.76) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL539059 0.84 EPHX2 (0.84) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL6570908 0.84 HDAC6 (1.00) HDAC6HDAC2HDAC8HPGDLMNA
SCHEMBL2924662 0.84 HDAC6 (0.74) HDAC6HDAC2HDAC8HPGDLMNA

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
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

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 HDAC6 1080/4885HDAC2 423/4885HDAC8 1201/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HDAC6 2093/4885HDAC2 1170/4885HDAC8 3441/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HDAC6 2093/4885HDAC2 1170/4885HDAC8 3441/4885

“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.