SCHEMBL95845

SCHEMBL95845

[CH2]c1ccc(NC2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
APAF1 O14727 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IDO1 P14902 1/20 0.41
IP6K1 Q92551 1/20 0.40
CTSK P43235 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL11526941 0.89 MAPT (0.61) MAPTGAAPOLBLMNAKDM4E
SCHEMBL78145 0.89 MAPT (0.61) MAPTGAAPOLBLMNAKDM4E
SCHEMBL3400048 0.89 MAPT (0.61) MAPTGAAPOLBLMNAKDM4E
SCHEMBL11526739 0.86 MAPT (0.63) MAPTGAAPOLBLMNAKDM4E
SCHEMBL9934529 0.82 MAPT (0.55) MAPTGAAPOLBLMNAKDM4E
SCHEMBL24016961 0.78 RAB9A (0.59) MAPTGAAPOLBLMNAKDM4E
SCHEMBL7794044 0.78 RAB9A (0.59) MAPTGAAPOLBLMNAKDM4E
SCHEMBL169760 0.78 RAB9A (0.59) MAPTGAAPOLBLMNAKDM4E
SCHEMBL2936626 0.78 POLB (0.61) MAPTGAAPOLBLMNAKDM4E
SCHEMBL2466559 0.78 EPHX1 (0.58) MAPTGAAPOLBLMNAKDM4E

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-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 MAPT 4112/4885GAA 4574/4885POLB 1340/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAPT 4773/4885GAA 4784/4885POLB 4329/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAPT 4773/4885GAA 4784/4885POLB 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.