SCHEMBL5433951

SCHEMBL5433951

NC(N)=NC(=O)/C=C/c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A1 P04798 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ CYP1B1 Q16678 1/20 0.51
▸ GRIN2D O15399 2/20 0.50
▸ GRIN3B O60391 2/20 0.50
▸ GRIN1 Q05586 2/20 0.50
▸ GRIN2A Q12879 2/20 0.50
▸ GRIN2B Q13224 2/20 0.50
▸ GRIN2C Q14957 2/20 0.50
▸ GRIN3A Q8TCU5 2/20 0.50

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
SCHEMBL30209666 0.82 HDAC8 (0.65) HDAC8HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL1380736 0.82 HDAC8 (0.65) HDAC8HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL3007219 0.78 HDAC8 (0.69) HDAC8HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL5598861 0.78 HDAC8 (0.69) HDAC8HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL5426825 0.78 HDAC1 (0.54) HDAC8HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL5423688 0.78 HSD11B1 (0.61) MAPTALDH1A1EGFRNPC1RAB9A
SCHEMBL5436272 0.78 MAOB (0.50) MAPTSMN1; SMN2ALDH1A1CYP1A1CYP1A2
SCHEMBL5430628 0.78 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL18201983 0.77 HDAC8 (0.55) HDAC8HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL23069115 0.76 HDAC8 (0.67) HDAC8HDAC6MAPTSMN1; SMN2ALDH1A1

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 16 patents. 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
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-10472332-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2019-11-12 — — US disclosed
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2017-09-14 — — US disclosed
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2015-11-05 — — US disclosed
EP-2617709-A1 Guanidine derivatives as antiviral agents Biotron Limited (AU) 2013-07-24 — — EP disclosed
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS GAGE PETER WILLIAM (AU) 2013-02-07 — — 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 HDAC8 278/4885HDAC6 227/4885MAPT 3427/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HDAC8 278/4885HDAC6 227/4885MAPT 3427/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HDAC8 284/4885HDAC6 367/4885MAPT 3545/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 HDAC8 278/4885HDAC6 227/4885MAPT 3427/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HDAC8 222/4885HDAC6 246/4885MAPT 3702/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HDAC8 222/4885HDAC6 246/4885MAPT 3702/4885

“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.

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