SCHEMBL94789

SCHEMBL94789

[CH2]c1ccc(C(=O)Nc2cccc(OC)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.81
RAB9A P51151 8/20 0.81
ALDH1A1 P00352 4/20 0.81
SMN1; SMN2 Q16637 4/20 0.81
TP53 P04637 3/20 0.81
PKM P14618 1/20 0.81
KMT2A Q03164 1/20 0.81
NLRP3 Q96P20 1/20 0.76
RXFP1 Q9HBX9 1/20 0.73
TRPV1 Q8NER1 1/20 0.72
KCNK9 Q9NPC2 2/20 0.68
KCNK3 O14649 1/20 0.68
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
HTT P42858 1/20 0.63
PLAU P00749 1/20 0.62

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
SCHEMBL10055020 0.92 NPC1 (0.94) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL4256368 0.89 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL31179863 0.87 NPC1 (0.83) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL4252397 0.87 NPC1 (0.83) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL29800540 0.86 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL2176828 0.86 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL13213708 0.85 NPC1 (0.81) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL94980 0.85 NPC1 (0.76) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL4250977 0.85 NPC1 (0.81) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL4248632 0.85 RAB9A (0.81) NPC1RAB9AALDH1A1SMN1; SMN2TP53

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103664973-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2014-03-26 CN claimed
CN-103664973-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2014-03-26 CN disclosed
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-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 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 3886/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NPC1 2922/4885RAB9A 2273/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NPC1 2922/4885RAB9A 2273/4885ALDH1A1 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.