SCHEMBL95494

SCHEMBL95494

[CH2]c1ccc(C(=O)N2CCCC2C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.55
SPHK2 Q9NRA0 4/20 0.55
CA2 P00918 1/20 0.55
PDK2 Q15119 1/20 0.51
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
VNN1 O95497 1/20 0.47

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
SCHEMBL13777926 0.86 DPP4 (0.59) SPHK1SPHK2CA2PDK2HTR1A
SCHEMBL11251209 0.86 SPHK2 (0.62) SPHK1SPHK2CA2PDK2HTR1A
SCHEMBL11251214 0.86 SPHK2 (0.62) SPHK1SPHK2CA2PDK2HTR1A
SCHEMBL949240 0.84 SPHK1 (0.52) SPHK1SPHK2CA2PDK2HTR1A
SCHEMBL4916923 0.84 DPP4 (0.61) SPHK1SPHK2CA2PDK2HTR1A
SCHEMBL949238 0.84 SPHK1 (0.52) SPHK1SPHK2CA2PDK2HTR1A
SCHEMBL4916925 0.84 DPP4 (0.61) SPHK1SPHK2CA2PDK2HTR1A
SCHEMBL4916442 0.82 ALDH1A1 (0.52) SPHK1SPHK2CA2PDK2HTR1A
SCHEMBL4916433 0.82 ALDH1A1 (0.52) SPHK1SPHK2CA2PDK2HTR1A
SCHEMBL13477022 0.81 SPHK2 (0.58) SPHK1SPHK2CA2PDK2GAA

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 SPHK1 1150/4885SPHK2 1273/4885CA2 823/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SPHK1 531/4885SPHK2 471/4885CA2 254/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SPHK1 531/4885SPHK2 471/4885CA2 254/4885

“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.