SCHEMBL94229

SCHEMBL94229

[CH2]c1ccc(C(=O)NC(C)(C)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.52
ADAMTS4 O75173 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
POLB P06746 1/20 0.47
ROCK2 O75116 2/20 0.47
PHGDH O43175 1/20 0.47
ROCK1 Q13464 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
TACR3 P29371 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL3039120 0.89 POLB (0.58) IMPDH2ADAMTS4ADAMTS5POLBROCK2
SCHEMBL3836272 0.88 RAB9A (0.57) IMPDH2ADAMTS4ADAMTS5POLBROCK2
SCHEMBL3838597 0.86 IMPDH2 (0.52) IMPDH2ADAMTS4ADAMTS5POLBROCK2
SCHEMBL3835902 0.85 PPARG (0.52) IMPDH2ADAMTS4ADAMTS5POLBROCK2
SCHEMBL3836954 0.85 IMPDH2 (0.51) IMPDH2ADAMTS4ADAMTS5POLBROCK2
SCHEMBL3835811 0.85 POLB (0.56) IMPDH2ADAMTS4ADAMTS5POLBROCK2
SCHEMBL3834428 0.82 ROCK2 (0.49) IMPDH2ADAMTS4ADAMTS5POLBROCK2
SCHEMBL3860731 0.82 EPHX2 (0.50) IMPDH2ADAMTS4ADAMTS5POLBROCK2
SCHEMBL3837433 0.82 RAB9A (0.53) IMPDH2ADAMTS4ADAMTS5POLBROCK2
SCHEMBL3837692 0.82 ROCK2 (0.49) IMPDH2ADAMTS4ADAMTS5POLBROCK2

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 7 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
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 IMPDH2 3659/4885ADAMTS4 4783/4885ADAMTS5 4714/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 IMPDH2 3261/4885ADAMTS4 4132/4885ADAMTS5 3849/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 IMPDH2 3261/4885ADAMTS4 4132/4885ADAMTS5 3849/4885

“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.