SCHEMBL93930

SCHEMBL93930

[CH2]c1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
HSD17B10 Q99714 2/20 0.76
HPGD P15428 6/20 0.73
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
TSHR P16473 3/20 0.65
GFER P55789 1/20 0.65
KMT2A Q03164 2/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.61
POLB P06746 1/20 0.61
RECQL P46063 2/20 0.59
NPC1 O15118 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL108225 0.91 ALDH1A1 (0.90) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL94838 0.85 MEN1 (0.72) ALDH1A1KMT2ALMNAPKMKDM4E
SCHEMBL5970063 0.84 HPGD (1.00) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL13486221 0.83 HPGD (1.00) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL14140751 0.83 HPGD (1.00) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL244547 0.83 HPGD (1.00) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL7076662 0.83 ALDH1A1 (0.72) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL7464300 0.81 HPGD (0.75) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL7433458 0.81 HPGD (0.75) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4
SCHEMBL18029393 0.80 ALDH1A1 (0.72) ALDH1A1HSD17B10HPGDCYP1A2CYP3A4

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
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 ALDH1A1 2948/4885HSD17B10 1533/4885HPGD 2146/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885HSD17B10 2568/4885HPGD 2322/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885HSD17B10 2568/4885HPGD 2322/4885

“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.