SCHEMBL5424488

SCHEMBL5424488

CONC(=N)NC(=O)/C=C/c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MMP1 P03956 5/20 0.53
MMP2 P08253 5/20 0.53
MMP9 P14780 5/20 0.53
EGFR P00533 7/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL15121428 0.85 HDAC2 (0.66) HTTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15121430 0.85 HDAC2 (0.66) HTTALDH1A1HDAC3HDAC4HDAC1
(E)-N-Methoxycinnamamide SCHEMBL13527482 0.84 ALDH1A1 (0.65) HTTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5672865 0.83 HDAC3 (0.58) HTTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL27689876 0.83 HDAC3 (0.58) HTTALDH1A1HDAC3HDAC4HDAC1
Guanidine SCHEMBL27689909 0.82 HTT (0.60) HTTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5436480 0.81 HTT (0.56) HTTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL27709614 0.81 HTT (0.56) HTTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL7670344 0.79 ALDH1A1 (0.73) HTTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1949533 0.79 HTT (0.70) HTTALDH1A1HDAC3HDAC4HDAC1

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 7 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 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
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 HTT 998/4885ALDH1A1 2843/4885HDAC3 262/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HTT 998/4885ALDH1A1 2843/4885HDAC3 262/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HTT 1300/4885ALDH1A1 3221/4885HDAC3 409/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 HTT 998/4885ALDH1A1 2843/4885HDAC3 262/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HTT 1378/4885ALDH1A1 3132/4885HDAC3 293/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 HTT 1378/4885ALDH1A1 3132/4885HDAC3 293/4885

“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.