SCHEMBL98467

SCHEMBL98467

O=CCCCCOc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
NOS1 P29475 1/20 0.49
HMOX2 P30519 1/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
MAOB P27338 3/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL5251518 0.95 KDM4E (0.52) KDM4EALDH1A1KMT2AMAPTNOS1
SCHEMBL2794233 0.90 MAOB (0.51) KDM4EALDH1A1KMT2AMAPTRAB9A
SCHEMBL2801030 0.84 MAOB (0.60) KDM4EALDH1A1KMT2AMAPTNOS1
SCHEMBL27664191 0.83 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AMAPTNOS1
SCHEMBL7162438 0.82 MAOB (0.62) KDM4EALDH1A1KMT2AMAPTNOS1
SCHEMBL21176752 0.81 ALDH1A1 (0.57) KDM4EALDH1A1KMT2AMAPTNOS1
SCHEMBL9805754 0.81 HDAC1 (0.43) KDM4EALDH1A1KMT2ARAB9ALMNA
SCHEMBL13883739 0.80 MAOB (0.64) KDM4EALDH1A1KMT2AMAPTNOS1
SCHEMBL8199273 0.79 MAOB (0.55) KDM4EALDH1A1KMT2AMAPTRAB9A
SCHEMBL23071123 0.79 ALDH1A1 (0.55) KDM4EALDH1A1KMT2AMAPTNOS1

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 9 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
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 2948/4885KMT2A 1059/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KDM4E 3919/4885ALDH1A1 2458/4885KMT2A 2732/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KDM4E 3919/4885ALDH1A1 2458/4885KMT2A 2732/4885

“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.