SCHEMBL5426867

SCHEMBL5426867

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ MAPT P10636 6/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAOA P21397 2/20 0.43

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
SCHEMBL5432585 0.84 TYR (0.57) HTR2BESR1ESR2MAPTSMN1; SMN2
SCHEMBL5425527 0.82 CYP1A2 (0.58) HTR2BMAPTNPC1SMN1; SMN2LMNA
SCHEMBL5443375 0.82 HSD11B1 (0.58) HTR2BMAPTLMNAALDH1A1SLC5A1
SCHEMBL5436045 0.82 MAPT (0.53) HTR2BMAPTNPC1SMN1; SMN2LMNA
SCHEMBL1949536 0.81 MAPT (0.55) HTR2BMAPTNPC1SMN1; SMN2LMNA
SCHEMBL3111717 0.80 HSD17B3 (0.63) HTR2BMAPTALDH1A1CYP1B1CYP2D6
Hydrochloric Acid SCHEMBL5427451 0.80 HTR2B (0.56) HTR2BMAPTNPC1SMN1; SMN2LMNA
SCHEMBL18653116 0.79 ESR1 (0.51) ESR1ESR2MAPTNPC1SMN1; SMN2
SCHEMBL5431012 0.79 HDAC2 (0.56) HTR2BMAPTNPC1SMN1; SMN2LMNA
SCHEMBL1380048 0.79 ESR1 (0.55) ESR1ESR2MAPTNPC1SMN1; 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 29 patents — showing the first 20. 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-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-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
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
US-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 — — 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 HTR2B 4140/4885ESR1 4127/4885ESR2 4453/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HTR2B 4140/4885ESR1 4127/4885ESR2 4453/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HTR2B 4329/4885ESR1 4086/4885ESR2 4330/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 HTR2B 4140/4885ESR1 4127/4885ESR2 4453/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HTR2B 4247/4885ESR1 4049/4885ESR2 4401/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HTR2B 4247/4885ESR1 4049/4885ESR2 4401/4885

“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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