SCHEMBL12880544

SCHEMBL12880544

O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3CN3CCCS3(=O)=O)s2)nc2c(Br)cc(N3CCOCC3)cn12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12880531 0.89 SLC2A1 (0.34) GRIA2GRIN1GRIN2AMEN1POLB
SCHEMBL12880552 0.89 ATR (0.31)
SCHEMBL12880551 0.88 LMNA (0.36) GRIA2GRIN1GRIN2APOLBLMNA
SCHEMBL14749179 0.87 MEN1 (0.33) GRIA2GRIN1GRIN2AMEN1KMT2A
SCHEMBL12880548 0.86 GRIA2 (0.37) GRIA2GRIN1GRIN2AMEN1KMT2A
SCHEMBL12880555 0.84 IDO1 (0.34) GRIA2GRIN1GRIN2AMEN1KMT2A
SCHEMBL12880557 0.83 ALDH1A1 (0.32) GRIA2GRIN1GRIN2AMEN1KMT2A
SCHEMBL12138822 0.83 ALDH1A1 (0.38) MEN1POLBKMT2ALMNASMN1; SMN2
SCHEMBL12880539 0.82 PIK3CA (0.34) GRIA2GRIN1GRIN2AMEN1KMT2A
SCHEMBL13512865 0.82 MEN1 (0.35) GRIA2GRIN1GRIN2AMEN1KMT2A

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-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP disclosed
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2011-02-17 US disclosed
US-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2011-02-17 US disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 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 (1 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-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 GRIA2 4422/4885GRIN1 2111/4885GRIN2A 3730/4885

“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.