SCHEMBL94980

SCHEMBL94980

[CH2]c1ccc(NC(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.76
RAB9A P51151 6/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
TP53 P04637 4/20 0.76
TSHR P16473 2/20 0.76
KDM4E B2RXH2 1/20 0.76
NFKB1 P19838 1/20 0.76
NFKB2 Q00653 1/20 0.76
RELA Q04206 1/20 0.76
KMT2A Q03164 6/20 0.74
MEN1 O00255 5/20 0.74
ALDH1A1 P00352 3/20 0.74
PKM P14618 2/20 0.74
HPGD P15428 1/20 0.74
MAPK1 P28482 1/20 0.74
AR P10275 1/20 0.69
RXFP1 Q9HBX9 1/20 0.68
KCNK3 O14649 2/20 0.68
KCNK9 Q9NPC2 2/20 0.68
HSP90AA1 P07900 1/20 0.65

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
SCHEMBL6802217 0.89 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL8363735 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL12167724 0.87 AR (0.89) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL5400469 0.87 AR (0.89) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL5226157 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL94789 0.85 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL5333933 0.85 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL6815681 0.85 NPC1 (0.76) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL30949327 0.85 AR (0.87) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL30455725 0.85 NPC1 (0.76) NPC1RAB9ASMN1; SMN2TP53TSHR

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 12 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN 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 3886/4885SMN1; SMN2 3998/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NPC1 2922/4885RAB9A 2273/4885SMN1; SMN2 3084/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NPC1 2922/4885RAB9A 2273/4885SMN1; SMN2 3084/4885

“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.