SCHEMBL5436217

SCHEMBL5436217

C/C(=C\c1ccc(N(C)C)cc1)C(=O)NC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
CHIA Q9BZP6 1/20 0.45
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 7/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 6/20 0.44
LMNA P02545 2/20 0.44
JAK2 O60674 1/20 0.44
MITF O75030 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL1277382 0.83 KMT2A (0.40) HDAC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL5426989 0.81 AKR1C3 (0.55) HDAC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL5426994 0.81 AKR1C3 (0.55) HDAC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL19341340 0.79 CA1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1277288 0.79 ALDH1A1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL221874 0.79 MAPT (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
Guanidine SCHEMBL8517216 0.79 AKR1C3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Guanidine SCHEMBL8517217 0.79 AKR1C3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8375706 0.77 SLC9A1 (0.54) ALDH1A1KMT2AMEN1LMNAMITF
SCHEMBL8375716 0.77 SLC9A1 (0.54) ALDH1A1KMT2AMEN1LMNAMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617709-B1 Guanidine derivatives as antiviral agents BIOTRON LTD (AU) 2022-11-16 EP claimed
US-10472332-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2019-11-12 US claimed
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2017-09-14 US claimed
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2015-11-05 US claimed
EP-2617709-A1 Guanidine derivatives as antiviral agents Biotron Limited (AU) 2013-07-24 EP claimed
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS GAGE PETER WILLIAM (AU) 2013-02-07 US claimed
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 CN claimed
US-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 US claimed
EP-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 EP claimed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 WO claimed
EP-2617709-B1 Guanidine derivatives as antiviral agents BIOTRON LTD (AU) 2022-11-16 EP disclosed
US-11192863-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2021-12-07 US disclosed
US-11192863-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2021-12-07 US disclosed
US-10472332-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2019-11-12 US disclosed
US-10472332-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2019-11-12 US disclosed
CN-101111475-B Antiviral compounds and methods BIOTRON LTD 2012-09-05 CN disclosed
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 CN disclosed
US-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 US disclosed
US-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 US disclosed
US-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 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 (6 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-11192863-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HDAC3 262/4885HDAC4 238/4885HDAC1 336/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HDAC3 262/4885HDAC4 238/4885HDAC1 336/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HDAC3 409/4885HDAC4 366/4885HDAC1 400/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 HDAC3 262/4885HDAC4 238/4885HDAC1 336/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HDAC3 293/4885HDAC4 230/4885HDAC1 269/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HDAC3 293/4885HDAC4 230/4885HDAC1 269/4885

“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.