SCHEMBL94864

SCHEMBL94864

[CH2]c1ccc(C(=O)N(CC)Cc2cccc(Br)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PTGES O14684 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RIPK1 Q13546 1/20 0.47
AOC3 Q16853 2/20 0.46
SLC2A1 P11166 1/20 0.44
HPGD P15428 4/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6183303 0.80 PTGES (0.62) PPARGPTGESRIPK1ALDH1A1RAB9A
SCHEMBL5543735 0.77 HPGD (0.61) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL3455861 0.77 HDAC1 (0.67) PPARGHDAC1HDAC6HPGDLIMK1
SCHEMBL6188445 0.77 HDAC1 (0.60) PPARGPTGESHDAC1HDAC6RIPK1
SCHEMBL94839 0.76 TSHR (0.48) PPARGHDAC1HDAC6HPGDLIMK1
SCHEMBL4300450 0.76 HPGD (0.69) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2960979 0.74 USP2 (0.58) HDAC1HDAC6HPGDLIMK1LIMK2
SCHEMBL95412 0.74 HDAC1 (0.52) HDAC1HDAC6HPGDALDH1A1MAPT
SCHEMBL25138742 0.74 HDAC1 (0.71) PPARGHDAC1HDAC6HPGDLIMK1
SCHEMBL24387236 0.73 RIPK1 (0.53) PTGESHDAC1RIPK1ALDH1A1RAB9A

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 10 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-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 PPARG 3915/4885PTGES 450/4885HDAC1 476/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 PPARG 1682/4885PTGES 910/4885HDAC1 1814/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PPARG 1682/4885PTGES 910/4885HDAC1 1814/4885

“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.