SCHEMBL1222502

SCHEMBL1222502

O=c1c(OCc2ccccc2)c(-c2ncc(Cc3ccc(F)cc3)o2)nc2c(Br)cc(N3CCOCC3)cn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.37
USP2 O75604 11/20 0.37
CASP1 P29466 11/20 0.37
CASP7 P55210 11/20 0.37
HIF1A Q16665 10/20 0.37
HSD17B10 Q99714 9/20 0.37
CYP1A2 P05177 9/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 4/20 0.36
MAPK1 P28482 3/20 0.36
CYP2C19 P33261 3/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 2/20 0.35
PRKDC P78527 4/20 0.35
ATM Q13315 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL12894421 0.88 CASP1 (0.34) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1222039 0.87 ALDH1A1 (0.37) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1222231 0.87 ALDH1A1 (0.39) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL12880831 0.85 ALDH1A1 (0.37) ALDH1A1USP2CASP1CASP7HIF1A
Trifluoroacetic Acid SCHEMBL1221959 0.81 USP2 (0.35) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1222276 0.76 CASP1 (0.37) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1221748 0.76 ALKBH1 (0.42) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL1221754 0.76 CYP3A4 (0.38) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL1222142 0.76 MEN1 (0.36) ALDH1A1USP2CASP1CASP7HIF1A
SCHEMBL2871144 0.76 USP2 (0.35) ALDH1A1USP2CASP1CASP7HIF1A

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 12 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-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-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
EP-2212324-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES Avexa Limited (AU) 2010-08-04 EP 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 ALDH1A1 702/4885USP2 4312/4885CASP1 698/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 ALDH1A1 702/4885USP2 4312/4885CASP1 698/4885

“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.