SCHEMBL5436433

SCHEMBL5436433

NC(N)=NC(=O)/C=C/c1ccccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.64
▸ MAOB P27338 9/20 0.55
▸ P4HB P07237 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.54
▸ GRIN2D O15399 2/20 0.51
▸ GRIN3B O60391 2/20 0.51
▸ GRIN1 Q05586 2/20 0.51
▸ GRIN2A Q12879 2/20 0.51
▸ GRIN2B Q13224 2/20 0.51
▸ GRIN2C Q14957 2/20 0.51
▸ GRIN3A Q8TCU5 2/20 0.51
▸ MAOA P21397 1/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL5432216 0.85 NFKB1 (0.44) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL29462703 0.82 NFKB1 (0.74) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL6510369 0.82 NFKB1 (0.74) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL5436272 0.80 MAOB (0.50) MAOBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5598951 0.79 NFKB1 (1.00) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL5598947 0.79 NFKB1 (1.00) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL5670304 0.78 HTR2B (0.41) NFKB1MAOBP4HBABCG2GRIN2D
SCHEMBL82266 0.77 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL29365331 0.77 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA
SCHEMBL8055837 0.77 NFKB1 (0.77) NFKB1MAOBP4HBABCG2MAOA

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 19 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
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-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
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 NFKB1 2056/4885MAOB 2109/4885P4HB 3303/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 NFKB1 2056/4885MAOB 2109/4885P4HB 3303/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 NFKB1 1434/4885MAOB 1936/4885P4HB 3233/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 NFKB1 2056/4885MAOB 2109/4885P4HB 3303/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 NFKB1 1545/4885MAOB 2091/4885P4HB 3439/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 NFKB1 1545/4885MAOB 2091/4885P4HB 3439/4885

“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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