SCHEMBL5436016

SCHEMBL5436016

CC(C)(C)c1cccc(/C=C/C(=O)N=C(N)N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.46
▸ CYP26B1 Q9NR63 4/20 0.44
▸ CYP26A1 O43174 2/20 0.44
▸ SLC9A1 P19634 1/20 0.42
▸ SLC9A3 P48764 1/20 0.42
▸ SLC9A2 Q9UBY0 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ P4HB P07237 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAOB P27338 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL5443386 0.86 P4HB (0.56) HTR2BNPSR1P4HBMEN1LMNA
SCHEMBL5433879 0.82 CYP1A2 (0.62) HTR2BTRPV1CYP1A2MEN1LMNA
SCHEMBL5435241 0.81 MAOA (0.51) HTR2BSLC9A1SLC9A3SLC9A2NPSR1
SCHEMBL4001259 0.79 CYP26B1 (0.60) TRPV1CYP26B1CYP26A1CYP1A2NPSR1
SCHEMBL4001262 0.79 CYP26B1 (0.60) TRPV1CYP26B1CYP26A1CYP1A2NPSR1
SCHEMBL5432854 0.78 CYP1A2 (0.63) HTR2BCYP1A2NPSR1MEN1LMNA
SCHEMBL3111717 0.78 HSD17B3 (0.63) HTR2BSLC9A1SLC9A3SLC9A2MAPT
SCHEMBL5441731 0.78 NFE2L2 (0.52) HTR2BMEN1MAPTKMT2AMAOB
SCHEMBL5425068 0.77 MAOB (0.58) CYP1A2LMNAMAPTMAOBMAOA
SCHEMBL5432232 0.77 HTR2B (0.47) HTR2BTRPV1SLC9A1SLC9A3SLC9A2

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 HTR2B 4140/4885TRPV1 4129/4885CYP26B1 3151/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HTR2B 4140/4885TRPV1 4129/4885CYP26B1 3151/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HTR2B 4329/4885TRPV1 4248/4885CYP26B1 2936/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 HTR2B 4140/4885TRPV1 4129/4885CYP26B1 3151/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HTR2B 4247/4885TRPV1 3858/4885CYP26B1 3425/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HTR2B 4247/4885TRPV1 3858/4885CYP26B1 3425/4885

“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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