SCHEMBL4649182

SCHEMBL4649182

NC(N)=NC(=O)c1ccc2c(C3CC3)cccc2c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.63
HTR2B P41595 10/20 0.50
HTR7 P34969 8/20 0.48
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SLC9A2 Q9UBY0 1/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 2/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7919828 0.89 SLC9A1 (0.52) SLC9A1HTR2BHTR7CYP2C9CYP2C19
SCHEMBL7918849 0.81 HTR2B (0.57) SLC9A1HTR2BHTR7CYP2C9CYP2C19
SCHEMBL10148398 0.80 PTPN1 (0.58) CYP2D6
SCHEMBL27992224 0.77 SLC9A1 (0.69) SLC9A1HTR2BHTR7
SCHEMBL27475392 0.77 SLC9A1 (1.00) SLC9A1HTR2BHTR7ADRA1DHTR2A
SCHEMBL27705620 0.77 SLC9A1 (0.69) SLC9A1HTR2BHTR7
SCHEMBL16502846 0.77 HTR2B (0.57) SLC9A1HTR2BHTR7CYP2C9CYP2C19
SCHEMBL3103932 0.76 PLAU (0.40) SLC9A1SLC6A3
SCHEMBL30735595 0.76 IKBKB (0.46)
SCHEMBL19284588 0.76 IKBKB (0.46)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683263-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2020-06-16 US claimed
US-20160376231-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2016-12-29 US claimed
EP-1902017-B1 Antiviral acylguanidine compounds BIOTRON LTD (AU) 2014-03-26 EP claimed
CN-101208297-B Antiviral compounds and methods BIOTRON LTD 2013-04-24 CN claimed
CN-101827589-A Hepatitis c antiviral compositions and methods BIOTROM LTD 2010-09-08 CN claimed
EP-2826770-B1 ACYLGUANIDINE COMPOUNDS WITH ANTIVIRAL ACTIVITY BIOTRON LTD (AU) 2018-09-12 EP disclosed
CN-101827589-B The compositions of anti-hepatitis c virus and method 拜伊特朗有限公司 2016-08-17 CN disclosed
CN-103274970-B Antiviral compounds and methods BIOTRON LTD 2015-02-25 CN disclosed
EP-1902017-B1 Antiviral acylguanidine compounds BIOTRON LTD (AU) 2014-03-26 EP disclosed
CN-101208297-B Antiviral compounds and methods BIOTRON LTD 2013-04-24 CN disclosed
CN-101827589-A Hepatitis c antiviral compositions and methods BIOTROM LTD 2010-09-08 CN disclosed
CN-101208297-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-06-25 CN disclosed
EP-1902017-A1 ANTIVIRAL COMPOUNDS AND METHODS Biotron Limited (AU) 2008-03-26 EP disclosed
WO-2006135978-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2006-12-28 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 (2 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-10683263-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 SLC9A1 4116/4885HTR2B 4534/4885HTR7 4247/4885
US-20160376231-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 SLC9A1 4116/4885HTR2B 4534/4885HTR7 4247/4885

“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.