SCHEMBL95759

SCHEMBL95759

[CH2]c1ccc(C(=O)N2CCN(c3cccnc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.61
ALDH1A1 P00352 2/20 0.55
POLB P06746 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SLC6A7 Q99884 2/20 0.52
TNKS O95271 1/20 0.50
AKR1C3 P42330 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
GRM1 Q13255 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 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
SCHEMBL17888367 0.86 MAPT (0.68) NAMPTALDH1A1POLBMAPTHTT
SCHEMBL17886718 0.83 ALDH1A1 (0.59) NAMPTALDH1A1POLBMAPTHTT
SCHEMBL95296 0.83 SMN1; SMN2 (0.67) NAMPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL94420 0.83 MEN1 (0.74) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL27781454 0.79 TRPV1 (0.56) NAMPTALDH1A1AKR1C3TRPV1
SCHEMBL21987023 0.79 MAPT (0.69) NAMPTALDH1A1POLBMAPTHTT
SCHEMBL94351 0.78 SLC6A7 (0.73) NAMPTALDH1A1MEN1KMT2ASLC6A7
SCHEMBL1981285 0.78 TRPV1 (0.55) NAMPTALDH1A1TRPV1
SCHEMBL94316 0.78 KDM4E (0.61) ALDH1A1HTTMEN1KMT2AFNTA
SCHEMBL2377185 0.78 ALDH1A1 (0.57) NAMPTALDH1A1MAPTHTTSMN1; SMN2

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 3169/4885ALDH1A1 2948/4885POLB 1340/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NAMPT 4259/4885ALDH1A1 2458/4885POLB 4329/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NAMPT 4259/4885ALDH1A1 2458/4885POLB 4329/4885

“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.