Sugi Predict

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SCHEMBL1222142

SCHEMBL1222142

O=C(CNC(=O)c1nc2c(Br)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1)Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MYC P01106 1/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ USP2 O75604 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CASP1 P29466 3/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ GRIA1 P42261 2/20 0.35
▸ HTT P42858 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
SCHEMBL12894303 0.89 ALDH1A1 (0.35) MEN1KMT2ATP53CYP3A4HSD17B10
SCHEMBL1222134 0.88 FAAH (0.36) MEN1KMT2ATP53MYCWDR5
SCHEMBL1221936 0.88 MEN1 (0.41) MEN1KMT2ATP53MYCWDR5
SCHEMBL1221548 0.87 MEN1 (0.35) MEN1KMT2ATP53MYCWDR5
SCHEMBL1222170 0.87 PIK3CA (0.35) MEN1KMT2ATP53MYCWDR5
SCHEMBL1221748 0.83 ALKBH1 (0.42) MEN1KMT2ACYP3A4LRRK2SLCO1B1
SCHEMBL1221944 0.82 MRGPRX4 (0.45) MEN1KMT2ACYP3A4LRRK2SLCO1B1
SCHEMBL1221915 0.80 SLC2A1 (0.42) MEN1KMT2ACYP3A4LRRK2SLCO1B1
SCHEMBL1221211 0.80 MYC (0.34) MEN1KMT2AMYCWDR5CYP3A4
SCHEMBL823414 0.80 SLC2A1 (0.42) MEN1KMT2AHSD17B10ALDH1A1CASP1

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-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-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

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 MEN1 1800/4885KMT2A 3774/4885TP53 1983/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 MEN1 1800/4885KMT2A 3774/4885TP53 1983/4885

“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.