SCHEMBL12880836

SCHEMBL12880836

COC(=O)c1nc2c(C(C)=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
CYP3A4 P08684 1/20 0.44
LRRK2 Q5S007 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL12880835 0.94 MRGPRX4 (0.43) MRGPRX4CYP3A4LRRK2SLCO1B1PIK3CA
SCHEMBL1222271 0.92 CYP3A4 (0.44) MRGPRX4CYP3A4LRRK2SLCO1B1ALDH1A1
SCHEMBL1221944 0.89 MRGPRX4 (0.45) MRGPRX4CYP3A4LRRK2SLCO1B1PIK3CA
SCHEMBL367770 0.89 MRGPRX4 (0.45) MRGPRX4CYP3A4LRRK2SLCO1B1PIK3CA
SCHEMBL15091802 0.89 KDM4E (0.44) MRGPRX4CYP3A4LRRK2SLCO1B1PIK3CA
SCHEMBL1220962 0.87 PIK3CA (0.42) MRGPRX4CYP3A4LRRK2SLCO1B1PIK3CA
SCHEMBL15092128 0.87 MRGPRX4 (0.42) MRGPRX4CYP3A4LRRK2SLCO1B1PIK3CA
SCHEMBL12894308 0.85 MAPT (0.39) MRGPRX4CYP3A4LRRK2PIK3CAPIK3CB
SCHEMBL1221123 0.85 MRGPRX4 (0.43) MRGPRX4CYP3A4LRRK2SLCO1B1PIK3CA
SCHEMBL15097572 0.85 MRGPRX4 (0.45) MRGPRX4CYP3A4LRRK2SLCO1B1PIK3CA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MRGPRX4 1093/4885CYP3A4 248/4885LRRK2 3053/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 MRGPRX4 1093/4885CYP3A4 248/4885LRRK2 3053/4885

“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.