SCHEMBL95450

SCHEMBL95450

Cc1cc(C)c(C)c(-c2noc(C(C)[O])n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 5/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL95365 0.76 TSHR (0.41) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23082913 0.73 MAPT (0.58) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5246523 0.73 MAPT (0.41) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL97968 0.72 CA1 (0.33) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL95366 0.72 NOTUM (0.45) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3939329 0.70 PGK1 (0.46) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL95850 0.69 RAB9A (0.58) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30448595 0.64 RAPGEF4 (0.43) MAPTALDH1A1KDM4EHSD17B10TP53
SCHEMBL15479735 0.62 HTT (0.57) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16067419 0.61 L3MBTL1 (0.50) MAPTALDH1A1KDM4EHPGDHSD17B10

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 9 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

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 4112/4885ALDH1A1 2948/4885KDM4E 1125/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAPT 4773/4885ALDH1A1 2458/4885KDM4E 3919/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAPT 4773/4885ALDH1A1 2458/4885KDM4E 3919/4885

“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.