SCHEMBL1222276

SCHEMBL1222276

O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3)o2)nc2c(I)cc(N3CCOCC3)cn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.37
ALDH1A1 P00352 11/20 0.37
CASP7 P55210 11/20 0.37
USP2 O75604 11/20 0.37
HIF1A Q16665 8/20 0.37
TSHR P16473 5/20 0.37
CYP1A2 P05177 11/20 0.37
HSD17B10 Q99714 9/20 0.37
CYP3A4 P08684 4/20 0.37
GLA P06280 3/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 3/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
BRCA1 P38398 1/20 0.35

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
SCHEMBL1221953 0.86 SLC2A1 (0.42) CASP1ALDH1A1CASP7USP2HIF1A
SCHEMBL1222502 0.76 ALDH1A1 (0.37) CASP1ALDH1A1CASP7USP2HIF1A
SCHEMBL12894421 0.76 CASP1 (0.34) CASP1ALDH1A1CASP7USP2HIF1A
SCHEMBL12894148 0.75 PSMD14 (0.44) CASP1ALDH1A1CASP7HSD17B10CYP3A4
SCHEMBL1221735 0.74 CYP1A2 (0.37) CASP1ALDH1A1CASP7USP2HIF1A
SCHEMBL12880832 0.74 ALDH1A1 (0.36) CASP1ALDH1A1CASP7USP2HIF1A
Hydrochloric Acid SCHEMBL1221960 0.73 ALDH1A1 (0.36) CASP1ALDH1A1CASP7USP2HIF1A
SCHEMBL1222138 0.73 CASP1 (0.35) CASP1ALDH1A1CASP7USP2HIF1A
SCHEMBL1222231 0.72 ALDH1A1 (0.39) CASP1ALDH1A1CASP7USP2HIF1A
SCHEMBL1222195 0.72 PIK3CA (0.36) CASP1ALDH1A1CASP7USP2HIF1A

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 15 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-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US 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-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
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 (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-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 CASP1 698/4885ALDH1A1 702/4885CASP7 1011/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 CASP1 698/4885ALDH1A1 702/4885CASP7 1011/4885

“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.