SCHEMBL97560

SCHEMBL97560

CC([C]=O)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ACHE P22303 1/20 0.40
MTOR P42345 1/20 0.40
AOC3 Q16853 1/20 0.39
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL10952496 0.80 HDAC4 (0.44) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL24296569 0.80 ACHE (0.45) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL2339913 0.80 HDAC4 (0.41) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL31377021 0.80 HDAC4 (0.41) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL910761 0.78 ACP3 (0.44) ACHEAOC3
SCHEMBL28247246 0.78 HDAC4 (0.46) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL1046557 0.77 HDAC4 (0.48) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL179253 0.76 ACHE (0.48) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL792296 0.76 ACHE (0.48) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL11259096 0.76 SLC6A3 (0.34) HDAC4KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP claimed
US-9023844-B2 Heterocyclylpyri (mi) dinylpyrazole as fungicidals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-05 US claimed
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US claimed
EP-2763987-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS Bayer Intellectual Property GmbH (DE) 2014-08-13 EP claimed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 WO claimed
EP-2763987-B1 HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
US-9023844-B2 Heterocyclylpyri (mi) dinylpyrazole as fungicidals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-05 US disclosed
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2763987-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS Bayer Intellectual Property GmbH (DE) 2014-08-13 EP disclosed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 WO disclosed
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
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 (4 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 CES2 4459/4885CES1 2322/4885HDAC4 1286/4885
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS CCNY, NQO2, H1-0 CES2 4033/4885CES1 2841/4885HDAC4 3265/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CES2 4704/4885CES1 2850/4885HDAC4 2177/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CES2 4704/4885CES1 2850/4885HDAC4 2177/4885

“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.