SCHEMBL5429604

SCHEMBL5429604

N=C(N)NC(=O)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC1 Q13547 3/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 7/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
KEAP1 Q14145 1/20 0.52
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX12 P18054 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL3512351 0.85 HDAC2 (0.63) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL5430589 0.85 HDAC2 (0.63) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL20597404 0.85 HDAC2 (0.73) HDAC2HDAC8HDAC6HDAC1MAPT
Hydrochloric Acid SCHEMBL27759639 0.84 HDAC2 (0.61) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL17993503 0.82 ALDH1A1 (0.61) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL3269788 0.81 MEN1 (0.57) HDAC8HDAC6ALDH1A1HPGDLMNA
SCHEMBL28766186 0.81 LMNA (0.57) HDAC2HDAC8HDAC6MAPTHTT
Biguanide SCHEMBL28966784 0.81 NOS1 (0.55) MAPTALDH1A1LMNAGAATSHR
SCHEMBL7518325 0.79 ALDH1A1 (0.48) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL5430599 0.78 MAPT (0.70) HDAC2HDAC8HDAC6HDAC1MAPT

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 31 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
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-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
EP-1646371-A2 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2006-04-19 EP disclosed
WO-2004112687-A2 ANTIVIRAL ACYLGUANIDINE COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2004-12-29 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 (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 HDAC2 621/4885HDAC8 278/4885HDAC6 227/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HDAC2 621/4885HDAC8 278/4885HDAC6 227/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HDAC2 702/4885HDAC8 284/4885HDAC6 367/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 HDAC2 621/4885HDAC8 278/4885HDAC6 227/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HDAC2 554/4885HDAC8 222/4885HDAC6 246/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HDAC2 554/4885HDAC8 222/4885HDAC6 246/4885

“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.