SCHEMBL97269

SCHEMBL97269

[O]CCC#Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
APP P05067 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
HTR2A P28223 1/20 0.45
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL10768214 0.85 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL28117897 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL17911731 0.80 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL96139 0.80 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL6777687 0.77 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL28973803 0.77 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL1444744 0.76 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL5541163 0.76 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL613220 0.76 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL5808117 0.76 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO

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 CYP1A2 3062/4885CYP3A4 3412/4885CYP2C9 3609/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP1A2 1412/4885CYP3A4 953/4885CYP2C9 1680/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP1A2 1412/4885CYP3A4 953/4885CYP2C9 1680/4885

“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.