SCHEMBL94245

SCHEMBL94245

[CH2]c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.60
SLC6A7 Q99884 3/20 0.56
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
GPR183 P32249 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3584765 0.87 NAMPT (0.61) NAMPTSLC6A7PDK1PDK2PDK3
SCHEMBL25160524 0.86 NAMPT (0.60) NAMPTSLC6A7PDK1PDK2PDK3
SCHEMBL20639683 0.86 GPR183 (0.64) NAMPTSLC6A7PDK1PDK2PDK3
SCHEMBL25160076 0.86 GPR183 (0.64) NAMPTSLC6A7PDK1PDK2PDK3
SCHEMBL20347007 0.86 LMNA (0.67) NAMPTSLC6A7POLBLMNAMEN1
SCHEMBL7954884 0.83 SLC6A7 (0.63) NAMPTSLC6A7PDK1PDK2PDK3
SCHEMBL95503 0.81 HSP90AA1 (0.74) NAMPTSLC6A7LMNAMEN1KMT2A
SCHEMBL94420 0.81 MEN1 (0.74) SLC6A7POLBLMNAMEN1KMT2A
SCHEMBL95296 0.78 SMN1; SMN2 (0.67) NAMPTSLC6A7POLBLMNAMEN1
SCHEMBL94700 0.78 MEN1 (0.60) NAMPTSLC6A7MEN1KMT2AHSP90AA1

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 NAMPT 3169/4885SLC6A7 4007/4885PDK1 1367/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NAMPT 4259/4885SLC6A7 4311/4885PDK1 2167/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NAMPT 4259/4885SLC6A7 4311/4885PDK1 2167/4885

“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.