SCHEMBL97482

SCHEMBL97482

[CH2]c1ccc(C(=O)N(CCCC)CCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.60
ERBB2 P04626 2/20 0.60
HPGD P15428 3/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.53
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
MLYCD O95822 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
NCOR2 Q9Y618 1/20 0.46
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
CNR2 P34972 1/20 0.45
NAMPT P43490 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44

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
SCHEMBL6674114 0.91 EGFR (0.70) EGFRERBB2HPGDGAATSHR
SCHEMBL5543209 0.89 MLYCD (0.62) EGFRERBB2HPGDGAATSHR
SCHEMBL9645501 0.85 EGFR (0.63) EGFRERBB2HPGDGAATSHR
SCHEMBL5968306 0.84 EGFR (0.62) EGFRERBB2HPGDGAATSHR
SCHEMBL10455765 0.84 EGFR (0.62) EGFRERBB2HPGDGAATSHR
SCHEMBL5968307 0.84 EGFR (0.62) EGFRERBB2HPGDGAATSHR
SCHEMBL10725111 0.83 EGFR (0.61) EGFRERBB2HPGDGAATSHR
SCHEMBL10758915 0.83 EGFR (0.61) EGFRERBB2HPGDGAATSHR
SCHEMBL10759435 0.83 EGFR (0.61) EGFRERBB2HPGDGAATSHR
SCHEMBL28409458 0.82 EGFR (0.65) EGFRERBB2HPGDGAATSHR

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 8 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
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US 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 EGFR 2494/4885ERBB2 1130/4885HPGD 2146/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 EGFR 453/4885ERBB2 431/4885HPGD 2322/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 EGFR 453/4885ERBB2 431/4885HPGD 2322/4885

“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.