SCHEMBL94316

SCHEMBL94316

[CH2]c1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 6/20 0.61
TDP1 Q9NUW8 1/20 0.61
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
HTT P42858 1/20 0.56
CHRM2 P08172 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 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
SCHEMBL17888305 0.88 ALDH1A1 (0.66) KDM4EALDH1A1TDP1FNTAFNTB
SCHEMBL17886724 0.84 MEN1 (0.74) KDM4EALDH1A1TDP1FNTAFNTB
SCHEMBL18754084 0.84 KDM4E (0.57) KDM4EALDH1A1TDP1FNTAFNTB
SCHEMBL95294 0.84 LSS (0.67) KDM4EALDH1A1MEN1KMT2A
SCHEMBL3243946 0.82 CHRNB2 (0.68) KDM4EALDH1A1TDP1
SCHEMBL27781452 0.81 KDM4E (0.69) KDM4EALDH1A1TDP1HTT
SCHEMBL13149228 0.81 CHRM2 (0.80) KDM4EALDH1A1TDP1HTTCHRM2
SCHEMBL6103374 0.80 ALDH1A1 (0.71) KDM4EALDH1A1TDP1HTT
SCHEMBL18753991 0.79 KDM4E (0.56) KDM4EALDH1A1TDP1HTTMEN1
SCHEMBL8144593 0.79 KDM4E (0.66) KDM4EALDH1A1TDP1MEN1KMT2A

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 KDM4E 1125/4885ALDH1A1 2948/4885TDP1 3588/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KDM4E 3919/4885ALDH1A1 2458/4885TDP1 4079/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KDM4E 3919/4885ALDH1A1 2458/4885TDP1 4079/4885

“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.