SCHEMBL5429626

SCHEMBL5429626

NC(N)=NC(=O)/C=C/c1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.48
▸ SLC9A1 P19634 4/20 0.42
▸ GRIN2D O15399 2/20 0.39
▸ GRIN3B O60391 2/20 0.39
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2A Q12879 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ GRIN2C Q14957 2/20 0.39
▸ GRIN3A Q8TCU5 2/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 2/20 0.35

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
SCHEMBL5436272 0.87 MAOB (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27353753 0.82 PTGS2 (0.54) PTGS2MAOBCES2BCHECES1
SCHEMBL3569615 0.78 PTGS2 (0.56) PTGS2MAOBCES2BCHECES1
SCHEMBL3569619 0.78 PTGS2 (0.56) PTGS2MAOBCES2BCHECES1
SCHEMBL1339824 0.76 PTGS2 (0.55) PTGS2MAOBCES2BCHECES1
SCHEMBL1339826 0.76 PTGS2 (0.55) PTGS2MAOBCES2BCHECES1
SCHEMBL5425543 0.76 SMN1; SMN2 (0.56) BCHEMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5433951 0.75 HDAC8 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5427641 0.75 SLC9A1 (0.42) SLC9A1HTR2BMAPTRAB9ASMN1; SMN2
SCHEMBL5430628 0.74 ALDH1A1 (0.48) SLC9A1HTR2BMAPTRAB9ASMN1; SMN2

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
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
CN-101111475-B Antiviral compounds and methods BIOTRON LTD 2012-09-05 — — CN 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 PTGS2 3834/4885SLC9A1 4403/4885GRIN2D 4590/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 PTGS2 3834/4885SLC9A1 4403/4885GRIN2D 4590/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 PTGS2 3863/4885SLC9A1 4386/4885GRIN2D 4621/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 PTGS2 3834/4885SLC9A1 4403/4885GRIN2D 4590/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 PTGS2 3893/4885SLC9A1 4316/4885GRIN2D 4607/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 PTGS2 3893/4885SLC9A1 4316/4885GRIN2D 4607/4885

“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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