SCHEMBL95589

SCHEMBL95589

[CH2]c1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.77
KDM4E B2RXH2 6/20 0.77
MAPT P10636 1/20 0.77
TSHR P16473 1/20 0.77
MAPK1 P28482 1/20 0.77
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 1/20 0.54
ADRB3 P13945 1/20 0.54
SLC6A2 P23975 1/20 0.54
TP53 P04637 1/20 0.54
TACR3 P29371 1/20 0.52

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
SCHEMBL17888394 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL17886713 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL2930129 0.79 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL17696118 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL23188192 0.78 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL95294 0.77 LSS (0.67) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL95027 0.77 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL1331974 0.77 CYP1A2 (0.71) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL1333260 0.77 CYP1A2 (0.71) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL20804356 0.77 CYP1A2 (0.71) ALDH1A1KDM4EMAPTTSHRMAPK1

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 ALDH1A1 2948/4885KDM4E 1125/4885MAPT 4112/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885KDM4E 3919/4885MAPT 4773/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885KDM4E 3919/4885MAPT 4773/4885

“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.