SCHEMBL95611

SCHEMBL95611

[CH2]c1ccc(C(=O)NC2CCCCC2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.68
TAS1R3 Q7RTX0 14/20 0.63
TAS1R1 Q7RTX1 13/20 0.63
TAS1R2 Q8TE23 12/20 0.63
ALDH1A1 P00352 1/20 0.60
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL517994 0.92 MLYCD (0.77) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL517895 0.87 MLYCD (0.71) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13927734 0.86 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL13927736 0.86 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4175029 0.86 TAS1R3 (0.72) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL889072 0.84 MLYCD (0.68) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL20712985 0.84 MLYCD (0.67) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL9691775 0.84 MLYCD (0.67) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL2453198 0.82 TAS1R3 (0.81) MLYCDTAS1R3TAS1R1TAS1R2
SCHEMBL889027 0.81 MLYCD (0.63) MLYCDTAS1R3TAS1R1TAS1R2ALDH1A1

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-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 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 MLYCD 4635/4885TAS1R3 4333/4885TAS1R1 3856/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MLYCD 3616/4885TAS1R3 484/4885TAS1R1 151/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MLYCD 3616/4885TAS1R3 484/4885TAS1R1 151/4885

“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.