SCHEMBL96971

SCHEMBL96971

[CH2]c1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.58
HDAC6 Q9UBN7 2/20 0.52
HDAC1 Q13547 1/20 0.52
LIMK2 P53671 4/20 0.52
NSD2 O96028 1/20 0.50
HSP90AA1 P07900 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MLYCD O95822 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
MAOA P21397 1/20 0.45
MAPT P10636 1/20 0.44
LIMK1 P53667 2/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
HDAC3 O15379 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
SCHEMBL30131238 0.84 MMP13 (0.58) MMP13HDAC6HDAC1LIMK2NSD2
SCHEMBL3455399 0.83 LIMK2 (0.69) MMP13HDAC6HDAC1LIMK2MEN1
SCHEMBL13211819 0.81 MMP13 (0.84) MMP13HDAC6HDAC1LIMK2NSD2
SCHEMBL9416557 0.78 HDAC1 (0.59) MMP13HDAC6HDAC1LIMK2NSD2
SCHEMBL18773850 0.76 KMT2A (0.67) MMP13HDAC6HDAC1LIMK2HSP90AA1
SCHEMBL7119896 0.76 HDAC6 (0.58) MMP13HDAC6HDAC1LIMK2NSD2
SCHEMBL2531849 0.75 HDAC4 (0.46) HDAC6HDAC1MEN1KMT2AMLYCD
SCHEMBL11209189 0.75 RAB9A (0.52) MMP13HSP90AA1MEN1KMT2A
SCHEMBL95227 0.75 KMT2A (0.61) MEN1KMT2AMAPT
SCHEMBL95064 0.75 HPGD (0.65) HSP90AA1MEN1KMT2A

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 11 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-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 MMP13 3464/4885HDAC6 1080/4885HDAC1 476/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MMP13 2249/4885HDAC6 2093/4885HDAC1 1814/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MMP13 2249/4885HDAC6 2093/4885HDAC1 1814/4885

“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.