SCHEMBL96972

SCHEMBL96972

CCc1ccccc1-c1nc(CCC[O])no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 6/20 0.43
MAPK1 P28482 2/20 0.43
CHUK O15111 1/20 0.40
TXNRD1 Q16881 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
CHRM2 P08172 3/20 0.36

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
SCHEMBL96973 0.87 TDP1 (0.44) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL95910 0.85 L3MBTL1 (0.47) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL95911 0.81 NOTUM (0.57) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL6002674 0.81 L3MBTL1 (0.46) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL2090203 0.75 KMT2A (0.50) NPC1RAB9ATDP1SMN1; SMN2MAPT
SCHEMBL2090201 0.74 L3MBTL1 (0.39) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL95464 0.72 NPC1 (0.41) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL7394051 0.72 TDP1 (0.54) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL7213201 0.72 TDP1 (0.51) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL15448320 0.71 CYP4F2 (0.46) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2

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
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 ALDH1A1 2948/4885NPC1 2361/4885RAB9A 3886/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885NPC1 2922/4885RAB9A 2273/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885NPC1 2922/4885RAB9A 2273/4885

“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.