SCHEMBL95748

SCHEMBL95748

CC(C)(C)c1ccc(-c2nnc(CC[O])o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.70
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.53
S1PR1 P21453 2/20 0.48
EGFR P00533 1/20 0.47
MAPT P10636 3/20 0.47
NOTUM Q6P988 1/20 0.45
S1PR4 O95977 1/20 0.44
S1PR5 Q9H228 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
IKBKB O14920 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL96804 0.87 NR1H4 (0.65) NR1H4KDM4ENPC1RAB9APOLB
SCHEMBL95749 0.84 NR1H4 (0.70) NR1H4KDM4ENPC1RAB9APOLB
SCHEMBL18197237 0.82 NR1H4 (0.62) NR1H4KDM4ENPC1RAB9APOLB
SCHEMBL96805 0.81 NR1H4 (0.65) NR1H4KDM4ENPC1RAB9APOLB
SCHEMBL3293191 0.79 NPC1 (0.75) NR1H4KDM4ENPC1RAB9APOLB
SCHEMBL2623780 0.79 NPC1 (0.75) NR1H4KDM4ENPC1RAB9APOLB
SCHEMBL1104799 0.77 NPC1 (0.72) NR1H4KDM4ENPC1RAB9APOLB
SCHEMBL6296907 0.77 NPC1 (0.72) NR1H4KDM4ENPC1RAB9APOLB
SCHEMBL2303004 0.75 NR1H4 (0.54) NR1H4KDM4ENPC1RAB9APOLB
SCHEMBL12427246 0.74 NPC1 (0.68) NR1H4KDM4ENPC1RAB9APOLB

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 NR1H4 1771/4885KDM4E 1125/4885NPC1 2361/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NR1H4 1462/4885KDM4E 3919/4885NPC1 2922/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NR1H4 1462/4885KDM4E 3919/4885NPC1 2922/4885

“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.