SCHEMBL96594

SCHEMBL96594

CC([C]=O)Oc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SLC6A4 P31645 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DAO P14920 1/20 0.38
NFE2L2 Q16236 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL104732 0.79 HPGD (0.51) HPGDMEN1KMT2AATMPPARG
SCHEMBL7214869 0.79 OGG1 (0.54) HPGDMEN1KMT2ASLC6A4L3MBTL1
SCHEMBL9353539 0.77 MTNR1A (0.42) HPGDMEN1KMT2A
SCHEMBL43675 0.77 MTNR1A (0.42) HPGDMEN1KMT2A
SCHEMBL96595 0.76 HPGD (0.54) HPGDMEN1KMT2AATMPPARG
SCHEMBL5257347 0.76 MAPK1 (0.47) PPARGPPARASLC6A4L3MBTL1
SCHEMBL23067916 0.76 HPGD (0.49) HPGDMEN1KMT2AATMPPARG
SCHEMBL3168184 0.76 HPGD (0.49) HPGDMEN1KMT2AATMPPARG
SCHEMBL1619629 0.76 HPGD (0.49) HPGDMEN1KMT2AATMPPARG
SCHEMBL1432373 0.75 KMT2A (0.60) HPGDMEN1KMT2AATMPPARG

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 14 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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN 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
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN 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
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 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 HPGD 2146/4885MEN1 4401/4885KMT2A 1059/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HPGD 2322/4885MEN1 3912/4885KMT2A 2732/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HPGD 2322/4885MEN1 3912/4885KMT2A 2732/4885

“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.