SCHEMBL5432257

SCHEMBL5432257

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.62
▸ HDAC3 O15379 1/20 0.57
▸ ADAM17 P78536 1/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC10 Q969S8 1/20 0.57
▸ HDAC11 Q96DB2 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ HDAC5 Q9UQL6 1/20 0.57
▸ CYP1A1 P04798 5/20 0.51
▸ CYP1B1 Q16678 5/20 0.51
▸ P4HB P07237 1/20 0.51
▸ MAOB P27338 7/20 0.49
▸ HTR2B P41595 1/20 0.48
▸ MAOA P21397 3/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL5433879 0.84 CYP1A2 (0.62) CYP1A2HTR2BGRIN1GRIN2B
SCHEMBL5443386 0.82 P4HB (0.56) P4HBMAOBHTR2BMAOACA12
SCHEMBL5443375 0.81 HSD11B1 (0.58) CYP1A1CYP1B1MAOBHTR2BMAOA
SCHEMBL1124274 0.81 CYP1A2 (0.72) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL1124278 0.81 CYP1A2 (0.72) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL5432585 0.80 TYR (0.57) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL5436045 0.78 MAPT (0.53) CYP1B1MAOBHTR2BMAOAGRIN1
SCHEMBL5426867 0.78 HTR2B (0.48) CYP1A2CYP1B1P4HBMAOBHTR2B
SCHEMBL5425527 0.78 CYP1A2 (0.58) CYP1A2HDAC3HDAC1HDAC2HDAC10
SCHEMBL1949536 0.78 MAPT (0.55) CYP1A2HDAC3HDAC1HDAC2HDAC10

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 17 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

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 CYP1A2 3645/4885HDAC3 262/4885ADAM17 1253/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 CYP1A2 3645/4885HDAC3 262/4885ADAM17 1253/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 CYP1A2 3324/4885HDAC3 409/4885ADAM17 650/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 CYP1A2 3645/4885HDAC3 262/4885ADAM17 1253/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 CYP1A2 3795/4885HDAC3 293/4885ADAM17 779/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 CYP1A2 3795/4885HDAC3 293/4885ADAM17 779/4885

“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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