SCHEMBL98220

SCHEMBL98220

[CH2]CC(=O)N(CC)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
GLA P06280 1/20 0.66
TSHR P16473 1/20 0.66
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TP53 P04637 2/20 0.53
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
MLYCD O95822 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL2030599 0.84 ALDH1A1 (0.70) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL3837959 0.82 ALDH1A1 (0.68) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL9471517 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL5595921 0.81 TP53 (0.79) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL3138023 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL308738 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL2032136 0.81 NPC1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL7363268 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL3364487 0.81 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL8122517 0.80 ALDH1A1 (0.46) ALDH1A1GLATSHRMEN1KMT2A

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 ALDH1A1 2948/4885GLA 4247/4885TSHR 3439/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885GLA 4101/4885TSHR 110/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885GLA 4101/4885TSHR 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.