SCHEMBL1222045

SCHEMBL1222045

CN1CCN(c2cc(N(C)C)cn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)cc5)s4)nc23)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 5/20 0.34
CASP1 P29466 4/20 0.34
CASP7 P55210 4/20 0.34
HSD17B10 Q99714 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
GRM5 P41594 2/20 0.32
CACNA2D1 P54289 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRM3 Q14832 1/20 0.31
MAPK1 P28482 1/20 0.31
GLA P06280 1/20 0.30
HIF1A Q16665 1/20 0.30
LTA4H P09960 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
SCHEMBL12894141 0.90 PARP1 (0.30)
SCHEMBL1222303 0.89 CYP1A2 (0.35) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL1222312 0.87 PARP1 (0.32) ALDH1A1MEN1KMT2AHPGD
SCHEMBL1222352 0.85 ALDH1A1 (0.33) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL1221731 0.82 BRD4 (0.33) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL1222507 0.81 CYP1A2 (0.33) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL14749231 0.81 NPC1 (0.31)
SCHEMBL12894145 0.80 CYP1A2 (0.34) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL12505474 0.79 PPARA (0.34) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL12505473 0.79 SCD (0.39) ALDH1A1HSD17B10MEN1KMT2AHPGD

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 702/4885CYP1A2 680/4885CASP1 698/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 ALDH1A1 702/4885CYP1A2 680/4885CASP1 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.