SCHEMBL95881

SCHEMBL95881

[CH2]c1ccc(C(=O)NCCCn2ccnc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.78
NPC1 O15118 1/20 0.78
POLB P06746 1/20 0.75
ALDH1A1 P00352 2/20 0.70
CYP19A1 P11511 1/20 0.70
MAPT P10636 1/20 0.70
TSHR P16473 1/20 0.70
HTT P42858 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
GAA P10253 1/20 0.66
MAPK1 P28482 2/20 0.65

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
SCHEMBL21098369 0.93 SMN1; SMN2 (0.89) SMN1; SMN2NPC1POLBALDH1A1CYP19A1
SCHEMBL4484066 0.88 SMN1; SMN2 (0.80) SMN1; SMN2NPC1POLBALDH1A1CYP19A1
SCHEMBL16359671 0.87 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBALDH1A1CYP19A1
SCHEMBL6571604 0.87 SMN1; SMN2 (0.84) SMN1; SMN2NPC1POLBALDH1A1CYP19A1
SCHEMBL4770380 0.87 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBALDH1A1CYP19A1
SCHEMBL5257694 0.87 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBALDH1A1CYP19A1
SCHEMBL13211944 0.87 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBALDH1A1CYP19A1
SCHEMBL1775216 0.86 SMN1; SMN2 (0.82) SMN1; SMN2NPC1POLBALDH1A1MAPT
SCHEMBL13762099 0.85 MEN1 (0.78) SMN1; SMN2NPC1POLBALDH1A1CYP19A1
SCHEMBL13766445 0.85 SMN1; SMN2 (0.74) SMN1; SMN2NPC1POLBALDH1A1CYP19A1

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 SMN1; SMN2 3998/4885NPC1 2361/4885POLB 1340/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885NPC1 2922/4885POLB 4329/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885NPC1 2922/4885POLB 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.