SCHEMBL95838

SCHEMBL95838

CC(C=O)c1cccc(Br)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.33
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
CYP3A4 P08684 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL9818286 0.83 HTT (0.42) CYP2C19CYP2C9HTTGABRA1GABRB2
SCHEMBL8304556 0.82 HTT (0.33) CYP2C19CYP2C9HTTGABRA1GABRB2
SCHEMBL29661785 0.76 GABRA1 (0.48) CYP2C19CYP2C9HTTGABRA1GABRB2
SCHEMBL6679470 0.76 GABRA1 (0.48) CYP2C19CYP2C9HTTGABRA1GABRB2
SCHEMBL2884756 0.74 P2RX7 (0.41) CYP2C19CYP2C9HTTGABRA1GABRB2
SCHEMBL10750207 0.72 HTT (0.36) CYP2C19CYP2C9HTTGABRA1GABRB2
SCHEMBL15301961 0.72 GABRA1 (0.34) CYP2C19CYP2C9HTTGABRA1GABRB2
SCHEMBL10751510 0.72 GABRA1 (0.39) CYP2C19CYP2C9HTTGABRA1GABRB2
SCHEMBL16960570 0.72 GABRA1 (0.34) CYP2C19CYP2C9HTTGABRA1GABRB2
SCHEMBL95837 0.72 CYP2C19 (0.35) CYP2C19CYP2C9HTTGABRA1GABRB2

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 CYP2C19 3445/4885CYP2C9 3609/4885HTT 4495/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP2C19 1094/4885CYP2C9 1680/4885HTT 4175/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP2C19 1094/4885CYP2C9 1680/4885HTT 4175/4885

“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.