SCHEMBL95261

SCHEMBL95261

O=[C]OCc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.47
MAPK1 P28482 3/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.41
PDE7A Q13946 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE7B Q9NP56 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KIF18A Q8NI77 1/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL28394155 0.83 MAPK1 (0.52) VCAM1MAPK1TSHRLMNAPDE7A
SCHEMBL95713 0.83 CYP1A2 (0.54) MAPK1TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL29548273 0.81 IDO1 (0.56) VCAM1MAPK1TSHRLMNAPDE7A
SCHEMBL29005663 0.81 LMNA (0.49) VCAM1MAPK1TSHRLMNAPDE7A
SCHEMBL9732280 0.79 KAT2B (0.42) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL11669434 0.79 VCAM1 (0.51) VCAM1MAPK1TSHRLMNAPDE7A
SCHEMBL95262 0.78 LMNA (0.47) VCAM1MAPK1TSHRLMNAPDE7A
SCHEMBL8842590 0.77 MAPK1 (0.45) VCAM1MAPK1TSHRLMNAPDE7A
SCHEMBL3117944 0.77 TSHR (0.45) VCAM1MAPK1TSHRLMNAPDE7A
SCHEMBL9260 0.77 ALDH1A1 (0.55) MAPK1TSHRL3MBTL1ALDH1A1KMT2A

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 VCAM1 961/4885MAPK1 173/4885TSHR 3439/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 VCAM1 3221/4885MAPK1 982/4885TSHR 110/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 VCAM1 3221/4885MAPK1 982/4885TSHR 110/4885

“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.