SCHEMBL94737

SCHEMBL94737

CCCCCc1cccc(-c2nc(CCCCC[O])no2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 11/20 0.54
SPHK1 Q9NYA1 10/20 0.54
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHRM2 P08172 4/20 0.43
CHRM4 P08173 4/20 0.43
CHRM5 P08912 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM3 P20309 4/20 0.43

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
SCHEMBL95835 0.89 SPHK2 (0.54) SPHK2SPHK1ALDH1A1KDM4ENPC1
SCHEMBL94738 0.88 SPHK2 (0.57) SPHK2SPHK1ALDH1A1KDM4ENPC1
SCHEMBL2095926 0.88 SPHK2 (0.54) SPHK2SPHK1ALDH1A1KDM4ENPC1
SCHEMBL95836 0.84 SPHK2 (0.57) SPHK2SPHK1ALDH1A1KDM4ENPC1
SCHEMBL1856445 0.81 ALDH1A1 (0.53) SPHK2SPHK1ALDH1A1KDM4ENPC1
SCHEMBL6725997 0.80 ALDH1A1 (0.51) SPHK2SPHK1ALDH1A1KDM4ENPC1
SCHEMBL1858819 0.80 ALDH1A1 (0.51) SPHK2SPHK1ALDH1A1KDM4ENPC1
SCHEMBL27601054 0.79 SPHK1 (0.46) SPHK2SPHK1ALDH1A1KDM4ENPC1
SCHEMBL1852486 0.79 SPHK1 (0.48) SPHK2SPHK1ALDH1A1KDM4ENPC1
SCHEMBL27619630 0.78 SPHK1 (0.44) SPHK2SPHK1ALDH1A1KDM4ENPC1

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 7 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

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 SPHK2 1273/4885SPHK1 1150/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SPHK2 471/4885SPHK1 531/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SPHK2 471/4885SPHK1 531/4885ALDH1A1 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.