SCHEMBL95553

SCHEMBL95553

[CH2]c1ccc(C(=O)NCCc2cccc(OC)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.72
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
CA7 P43166 3/20 0.71
CA9 Q16790 3/20 0.71
CA14 Q9ULX7 3/20 0.71
ROCK2 O75116 2/20 0.57
ROCK1 Q13464 2/20 0.57
MMP13 P45452 2/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
PRKACA P17612 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54

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
SCHEMBL5681767 0.88 RAB9A (0.73) RAB9ACA1CA2CA7CA9
SCHEMBL6713509 0.87 RAB9A (0.72) RAB9ACA1CA2CA7CA9
SCHEMBL6718536 0.87 RAB9A (0.72) RAB9ACA1CA2CA7CA9
SCHEMBL12495842 0.86 RAB9A (0.71) RAB9ACA1CA2CA7CA9
SCHEMBL1568765 0.85 RAB9A (0.69) RAB9ACA1CA2CA7CA9
SCHEMBL3575844 0.83 RAB9A (0.67) RAB9ACA1CA2CA7CA9
SCHEMBL16712968 0.83 ROCK2 (0.79) RAB9ACA1CA2CA7CA9
SCHEMBL6713826 0.83 RAB9A (0.70) RAB9ACA1CA2CA7CA9
SCHEMBL1663599 0.82 CA1 (0.67) RAB9ACA1CA2CA7CA9
SCHEMBL1663067 0.82 RAB9A (0.65) RAB9ACA1CA2CA7CA9

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 RAB9A 3886/4885CA1 3276/4885CA2 823/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 RAB9A 2273/4885CA1 2592/4885CA2 254/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 RAB9A 2273/4885CA1 2592/4885CA2 254/4885

“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.