SCHEMBL3107546

SCHEMBL3107546

O=C(O)C=Cc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.63
HDAC3 O15379 3/20 0.62
HDAC4 P56524 3/20 0.62
HDAC1 Q13547 3/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC9 Q9UKV0 3/20 0.62
HDAC5 Q9UQL6 3/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
TNKS O95271 1/20 0.62
HCAR2 Q8TDS4 1/20 0.62
TNKS2 Q9H2K2 1/20 0.62
PKM P14618 2/20 0.60
NPSR1 Q6W5P4 1/20 0.59
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL3107542 1.00 PTGS2 (0.63) PTGS2HDAC3HDAC4HDAC1HDAC7
Benzophenone SCHEMBL7199379 0.89 HCAR2 (0.79) PTGS2HDAC3HDAC4HDAC1HDAC7
Benzophenone SCHEMBL7199376 0.89 HCAR2 (0.79) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL69236 0.85 P4HB (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL69237 0.85 P4HB (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11124806 0.84 MAOB (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11124804 0.84 MAOB (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10386290 0.83 SRD5A2 (0.75) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3651653 0.83 SRD5A2 (0.75) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL271386 0.82 NPSR1 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-20200385340-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS BIOTRON LTD (AU) 2020-12-10 US disclosed
US-10683263-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2020-06-16 US disclosed
EP-2826770-B1 ACYLGUANIDINE COMPOUNDS WITH ANTIVIRAL ACTIVITY BIOTRON LTD (AU) 2018-09-12 EP disclosed
US-20170362170-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS BIOTRON LTD (AU) 2017-12-21 US disclosed
US-20160376231-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2016-12-29 US disclosed
EP-2659885-B1 Hepatitis C Antiviral Compositions and Methods BIOTRON LTD (AU) 2016-11-09 EP disclosed
US-9440926-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2016-09-13 US disclosed
EP-2194976-B1 Hepatitis C antiviral compositions comprising 5-(1-methylpyrazol-4-yl)2-naphthoylguanidine and 2'-C-methyladenosine or 2'-C-methylcytidine BIOTRON LTD (AU) 2015-12-09 EP disclosed
US-20150023921-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS BIOTRON LIMITED (AU) 2015-01-22 US disclosed
EP-2826770-A1 Acylguanidine compounds with antiviral activity Biotron Limited (AU) 2015-01-21 EP disclosed
US-8669280-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2014-03-11 US disclosed
US-20140066487-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2014-03-06 US disclosed
EP-2659885-A1 Hepatitis C Antiviral Compositions and Methods Biotron Limited (AU) 2013-11-06 EP disclosed
US-20100254942-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS BIOTRON LIMITED (AU) 2010-10-07 US disclosed
EP-2194976-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS Biotron Limited (AU) 2010-06-16 EP disclosed
US-20090099239-A1 Antiviral Compounds and Methods BIOTRON LIMITED (AU) 2009-04-16 US disclosed
WO-2009018609-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS BIOTROM LIMITED (AU) 2009-02-12 WO disclosed
WO-2008060844-A1 POLYMERIZATION INHIBITOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE ALBEMARLE CORPORATION (US) 2008-05-22 WO disclosed
EP-1902017-A1 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2008-03-26 EP disclosed
WO-2006135978-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2006-12-28 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 (8 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-20140066487-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 PTGS2 2704/4885HDAC3 681/4885HDAC4 469/4885
US-20100254942-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS HAVCR2, HCCS, EIF2AK2 PTGS2 1322/4885HDAC3 690/4885HDAC4 1456/4885
US-20150023921-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS HAVCR2, HCCS, EIF2AK2 PTGS2 1322/4885HDAC3 690/4885HDAC4 1456/4885
US-10683263-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 PTGS2 2704/4885HDAC3 681/4885HDAC4 469/4885
US-20170362170-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS HAVCR2, HCCS, EIF2AK2 PTGS2 1322/4885HDAC3 690/4885HDAC4 1456/4885
US-20090099239-A1 Antiviral Compounds and Methods MAVS, ZC3HAV1, EIF2AK2 PTGS2 2704/4885HDAC3 681/4885HDAC4 469/4885
US-20160376231-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 PTGS2 2704/4885HDAC3 681/4885HDAC4 469/4885
US-20200385340-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS HAVCR2, HCCS, EIF2AK2 PTGS2 1322/4885HDAC3 690/4885HDAC4 1456/4885

“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.