SCHEMBL96896

SCHEMBL96896

O=COCCCCNC1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.44
CXCL12 P48061 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL94621 0.98 CXCR4 (0.42) CXCR4CXCL12ALDH1A1KDM4EHRH4
SCHEMBL94792 0.98 CXCR4 (0.42) CXCR4CXCL12ALDH1A1KDM4EHRH4
SCHEMBL94781 0.93 KDM4E (0.46) CXCR4CXCL12ALDH1A1KDM4E
SCHEMBL95118 0.87 KDM4E (0.41) CXCR4CXCL12ALDH1A1KDM4E
SCHEMBL29120360 0.85 KDM4E (0.42) CXCR4CXCL12ALDH1A1KDM4ETDP1
SCHEMBL28630664 0.77
SCHEMBL5932743 0.76 CXCR4 (0.60) CXCR4CXCL12ALDH1A1HRH4HRH3
SCHEMBL4786617 0.76 CXCR4 (0.53) CXCR4CXCL12ALDH1A1KDM4EHRH4
SCHEMBL10604006 0.76 CXCR4 (0.53) CXCR4CXCL12ALDH1A1KDM4EHRH4
SCHEMBL841438 0.76 CXCR4 (0.53) CXCR4CXCL12ALDH1A1KDM4EHRH4

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
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 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 CXCR4 1485/4885CXCL12 1708/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CXCR4 464/4885CXCL12 1205/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CXCR4 464/4885CXCL12 1205/4885ALDH1A1 2458/4885

“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.