SCHEMBL94829

SCHEMBL94829

[CH2]c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HTT P42858 2/20 0.71
NCOA1 Q15788 1/20 0.71
NCOA3 Q9Y6Q9 1/20 0.71
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
RAB9A P51151 2/20 0.61
LMNA P02545 2/20 0.61
GLA P06280 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
P2RX1 P51575 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 2/20 0.60

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
SCHEMBL995085 0.89 GAA (0.77) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL4958300 0.88 GAA (0.71) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL4958310 0.88 GAA (0.71) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL27657640 0.88 GAA (0.71) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL5222691 0.86 ALDH1A1 (0.70) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL1010241 0.86 GAA (0.69) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL30236947 0.86 MAPT (0.78) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL5226448 0.86 MAPT (0.78) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL6814805 0.86 GAA (0.69) GAASMN1; SMN2HTTNCOA1NCOA3
SCHEMBL5223087 0.86 MDM2 (0.72) GAASMN1; SMN2HTTNCOA1NCOA3

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 GAA 4574/4885SMN1; SMN2 3998/4885HTT 4495/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 GAA 4784/4885SMN1; SMN2 3084/4885HTT 4175/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 GAA 4784/4885SMN1; SMN2 3084/4885HTT 4175/4885

“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.