SCHEMBL94428

SCHEMBL94428

[CH2]c1ccc(C(=O)NCCCc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.79
RAB9A P51151 5/20 0.79
MLYCD O95822 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HSP90AA1 P07900 1/20 0.67
KDM4E B2RXH2 1/20 0.62
POLB P06746 1/20 0.62
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
EPHX2 P34913 1/20 0.59
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NLRP1 Q9C000 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL95051 0.90 HDAC2 (0.73) NPC1RAB9AMLYCDSMN1; SMN2HDAC2
SCHEMBL3225126 0.89 NPC1 (1.00) NPC1RAB9AMLYCDSMN1; SMN2HSP90AA1
SCHEMBL13947517 0.84 NPC1 (0.82) NPC1RAB9AMLYCDSMN1; SMN2HSP90AA1
SCHEMBL9422525 0.84 HSP90AA1 (0.91) NPC1RAB9AMLYCDSMN1; SMN2HSP90AA1
SCHEMBL28905659 0.84 NPC1 (1.00) NPC1RAB9AMLYCDSMN1; SMN2HSP90AA1
SCHEMBL1196488 0.84 NPC1 (0.72) NPC1RAB9AMLYCDSMN1; SMN2HSP90AA1
SCHEMBL11176654 0.83 NPC1 (0.90) NPC1RAB9AMLYCDSMN1; SMN2HSP90AA1
SCHEMBL6350925 0.83 NPC1 (0.77) NPC1RAB9AMLYCDSMN1; SMN2HSP90AA1
SCHEMBL8115111 0.82 NPC1 (0.87) NPC1RAB9AMLYCDSMN1; SMN2HSP90AA1
SCHEMBL1568233 0.81 RAB9A (0.82) NPC1RAB9AMLYCDSMN1; SMN2HSP90AA1

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 NPC1 2361/4885RAB9A 3886/4885MLYCD 4635/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NPC1 2922/4885RAB9A 2273/4885MLYCD 3616/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NPC1 2922/4885RAB9A 2273/4885MLYCD 3616/4885

“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.