SCHEMBL5427024

SCHEMBL5427024

NC(N)=NC(=O)C=CC=Cc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.54
▸ MAOB P27338 4/20 0.49
▸ PKM P14618 1/20 0.49
▸ SLC6A19 Q695T7 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ SLC9A1 P19634 1/20 0.42
▸ SLC9A3 P48764 1/20 0.42
▸ SLC9A2 Q9UBY0 1/20 0.42
▸ MAOA P21397 2/20 0.42
▸ HTR2B P41595 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ RELA Q04206 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL3111717 0.90 HSD17B3 (0.63) HSD17B3MAOBPKMSLC6A19BACE1
SCHEMBL5435316 0.82 HDAC3 (0.54) MAOBCYP2D6MAOAHTR2BALDH1A1
SCHEMBL14504239 0.82 HDAC3 (0.54) MAOBCYP2D6MAOAHTR2BALDH1A1
SCHEMBL11464066 0.76 HSD17B3 (0.61) HSD17B3MAOBPKMSLC6A19BACE1
SCHEMBL5427020 0.75 MAOB (0.56) HSD17B3MAOBPKMSLC6A19BACE1
SCHEMBL5671341 0.75 MAOB (0.56) HSD17B3MAOBPKMSLC6A19BACE1
SCHEMBL3364558 0.75 HSD17B3 (0.73) HSD17B3MAOBPKMSLC6A19BACE1
SCHEMBL1381247 0.75 HSD17B3 (0.73) HSD17B3MAOBPKMSLC6A19BACE1
SCHEMBL3364562 0.75 HSD17B3 (0.73) HSD17B3MAOBPKMSLC6A19BACE1
SCHEMBL5436185 0.74 HSD11B1 (0.51) SLC9A1HTR2BALDH1A1MAPTRELA

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-11192863-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2021-12-07 — — US 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
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 HSD17B3 2453/4885MAOB 2109/4885PKM 3055/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HSD17B3 2453/4885MAOB 2109/4885PKM 3055/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HSD17B3 2173/4885MAOB 1936/4885PKM 2772/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 HSD17B3 2453/4885MAOB 2109/4885PKM 3055/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HSD17B3 2471/4885MAOB 2091/4885PKM 2966/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HSD17B3 2471/4885MAOB 2091/4885PKM 2966/4885

“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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