SCHEMBL96805

SCHEMBL96805

CC(C)(C)c1ccc(-c2nnc(CO)o2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.65
NOTUM Q6P988 3/20 0.62
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 2/20 0.58
POLB P06746 2/20 0.56
TP53 P04637 2/20 0.56
S1PR1 P21453 2/20 0.50
EGFR P00533 1/20 0.49
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.44
IKBKB O14920 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL95749 0.87 NR1H4 (0.70) NR1H4NOTUMNPC1RAB9AKDM4E
SCHEMBL18197237 0.85 NR1H4 (0.62) NR1H4NOTUMNPC1RAB9AKDM4E
SCHEMBL96804 0.83 NR1H4 (0.65) NR1H4NOTUMNPC1RAB9AKDM4E
SCHEMBL13899158 0.83 NOTUM (0.62) NR1H4NOTUMNPC1RAB9AKDM4E
SCHEMBL3080649 0.83 KDM4E (0.58) NR1H4NOTUMNPC1RAB9AKDM4E
SCHEMBL3293191 0.82 NPC1 (0.75) NR1H4NOTUMNPC1RAB9AKDM4E
SCHEMBL2623780 0.82 NPC1 (0.75) NR1H4NOTUMNPC1RAB9AKDM4E
SCHEMBL97043 0.81 NOTUM (0.68) NOTUMNPC1RAB9AKDM4EPOLB
SCHEMBL95748 0.81 NR1H4 (0.70) NR1H4NOTUMNPC1RAB9AKDM4E
SCHEMBL1104799 0.80 NPC1 (0.72) NR1H4NOTUMNPC1RAB9AKDM4E

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
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

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 1771/4885NOTUM 2694/4885NPC1 2361/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NR1H4 1462/4885NOTUM 2892/4885NPC1 2922/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NR1H4 1462/4885NOTUM 2892/4885NPC1 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.