SCHEMBL5440158

SCHEMBL5440158

CCCCCC=Cc1cccc(/C=C/C(=O)N=C(N)N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.46
▸ SLC9A1 P19634 1/20 0.41
▸ SLC9A3 P48764 1/20 0.41
▸ SLC9A2 Q9UBY0 1/20 0.41
▸ TNNC1 P63316 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ APP P05067 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ SOAT1 P35610 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL5431353 0.81 HDAC4 (0.53) HTR2BSLC9A1SLC9A3SLC9A2KDM4E
SCHEMBL19327151 0.79 HDAC3 (0.45) TNNC1CNR1APPEGFRHDAC3
SCHEMBL5440153 0.79 HDAC3 (0.45) TNNC1CNR1APPEGFRHDAC3
SCHEMBL30071647 0.79 HDAC3 (0.45) TNNC1CNR1APPEGFRHDAC3
SCHEMBL5440150 0.79 HDAC3 (0.45) TNNC1CNR1APPEGFRHDAC3
SCHEMBL4862294 0.77 KDM4E (0.55) EGFRHDAC3KDM4EALDH1A1SMN1; SMN2
SCHEMBL10745504 0.77 APP (0.47) CNR1APPEGFRKDM4EALDH1A1
SCHEMBL10745545 0.77 APP (0.47) CNR1APPEGFRKDM4EALDH1A1
SCHEMBL10745536 0.77 APP (0.47) CNR1APPEGFRKDM4EALDH1A1
SCHEMBL10745530 0.77 APP (0.47) CNR1APPEGFRKDM4EALDH1A1

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 16 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
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 4140/4885SLC9A1 4403/4885SLC9A3 4253/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HTR2B 4140/4885SLC9A1 4403/4885SLC9A3 4253/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HTR2B 4329/4885SLC9A1 4386/4885SLC9A3 4317/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 HTR2B 4140/4885SLC9A1 4403/4885SLC9A3 4253/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HTR2B 4247/4885SLC9A1 4316/4885SLC9A3 4223/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HTR2B 4247/4885SLC9A1 4316/4885SLC9A3 4223/4885

“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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