SCHEMBL95064

SCHEMBL95064

[CH2]c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.65
HSP90AA1 P07900 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 4/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45

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
SCHEMBL20988773 0.82 HPGD (0.59) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL12632572 0.79 HSP90AA1 (0.60) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL11390038 0.79 HPGD (0.64) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL10107755 0.76 HSP90AA1 (0.66) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL11042714 0.76 HPGD (0.56) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL96971 0.75 MMP13 (0.58) HSP90AA1MEN1KMT2A
SCHEMBL109220 0.75 HPGD (0.70) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL8349898 0.75 TRPM8 (0.62) HPGDHSP90AA1KMT2AALDH1A1TSHR
SCHEMBL2958885 0.74 HSP90AA1 (0.76) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL8299002 0.73 HSP90AA1 (0.65) HPGDHSP90AA1MEN1KMT2AALDH1A1

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 HPGD 2146/4885HSP90AA1 3237/4885MEN1 4401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HPGD 2322/4885HSP90AA1 4109/4885MEN1 3912/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HPGD 2322/4885HSP90AA1 4109/4885MEN1 3912/4885

“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.