SCHEMBL96955

SCHEMBL96955

CC([C]=O)Oc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSPB1 P04792 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 3/20 0.35
GAA P10253 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL5745812 0.79 MEN1 (0.50) KMT2AMEN1HPGDMAPTL3MBTL1
SCHEMBL11450812 0.76 KMT2A (0.51) KMT2AMEN1HPGDMAPTL3MBTL1
SCHEMBL96956 0.75 KMT2A (0.51) KMT2AMEN1HPGDMAPTL3MBTL1
SCHEMBL30336909 0.74 KMT2A (0.61) KMT2AMEN1HPGDMAPTL3MBTL1
SCHEMBL19725379 0.73 KMT2A (0.46) KMT2AMEN1HPGDMAPTL3MBTL1
SCHEMBL9544993 0.71 MEN1 (0.48) KMT2AMEN1HPGDMAPTL3MBTL1
SCHEMBL96594 0.71 HPGD (0.49) KMT2AMEN1HPGDL3MBTL1SLC6A4
SCHEMBL98913 0.71 HSPB1 (0.42) KMT2AMEN1HPGDMAPTL3MBTL1
SCHEMBL2656460 0.69 HPGD (0.56) KMT2AMEN1HPGDMAPTL3MBTL1
SCHEMBL24180128 0.69 SLC6A2 (0.47) KMT2AMEN1HPGDMAPTL3MBTL1

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 KMT2A 1059/4885MEN1 4401/4885HPGD 2146/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KMT2A 2732/4885MEN1 3912/4885HPGD 2322/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KMT2A 2732/4885MEN1 3912/4885HPGD 2322/4885

“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.