SCHEMBL94609

SCHEMBL94609

[CH2]c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
KCNH2 Q12809 1/20 0.81
SIGMAR1 Q99720 1/20 0.67
THRB P10828 2/20 0.57
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HRH4 Q9H3N8 1/20 0.54
LMNA P02545 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
SCHEMBL9426415 0.90 MEN1 (1.00) MEN1KMT2AKCNH2SIGMAR1THRB
SCHEMBL17444686 0.86 MEN1 (0.81) MEN1KMT2AKCNH2SIGMAR1THRB
SCHEMBL25238918 0.84 MEN1 (0.89) MEN1KMT2AKCNH2SIGMAR1POLB
SCHEMBL26844075 0.84 MEN1 (0.77) MEN1KMT2AKCNH2SIGMAR1THRB
SCHEMBL25284686 0.83 DRD2 (0.75) MEN1KMT2AKCNH2SIGMAR1POLB
SCHEMBL17444701 0.82 KCNH2 (0.73) MEN1KMT2AKCNH2SIGMAR1ALDH1A1
SCHEMBL15961276 0.81 SIGMAR1 (0.91) MEN1KMT2AKCNH2SIGMAR1KDM4E
SCHEMBL25239004 0.81 PKM (0.78) MEN1KMT2AKCNH2SIGMAR1THRB
SCHEMBL25237094 0.80 SIGMAR1 (1.00) MEN1KMT2AKCNH2SIGMAR1KDM4E
SCHEMBL517897 0.79 PRKAA2 (0.80) MEN1KMT2AKCNH2SIGMAR1THRB

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 12 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
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 MEN1 4401/4885KMT2A 1059/4885KCNH2 3417/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MEN1 3912/4885KMT2A 2732/4885KCNH2 3445/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MEN1 3912/4885KMT2A 2732/4885KCNH2 3445/4885

“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.