SCHEMBL371040

SCHEMBL371040

COC(=O)c1nc2c(N3CCNCC3=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
PRMT5 O14744 1/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
CYP3A4 P08684 2/20 0.36
LRRK2 Q5S007 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALOX15 P16050 1/20 0.35
USP2 O75604 2/20 0.35
GAA P10253 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
SCHEMBL1222306 0.89 MRGPRX4 (0.43) MRGPRX4ALDH1A1KDM4EMAPK1PIK3CA
SCHEMBL10070057 0.88 MAPT (0.35) MRGPRX4ALDH1A1KDM4EMAPK1PIK3CA
SCHEMBL368141 0.88 MRGPRX4 (0.42) MRGPRX4ALDH1A1KDM4EMAPK1PIK3CA
SCHEMBL1221123 0.87 MRGPRX4 (0.43) MRGPRX4ALDH1A1KDM4EMAPK1PIK3CA
SCHEMBL369345 0.86 MRGPRX4 (0.43) MRGPRX4ALDH1A1KDM4EMAPK1PIK3CA
SCHEMBL367770 0.85 MRGPRX4 (0.45) MRGPRX4ALDH1A1KDM4EMAPK1PIK3CA
SCHEMBL369542 0.83 MRGPRX4 (0.38) MRGPRX4
SCHEMBL1221944 0.83 MRGPRX4 (0.45) MRGPRX4ALDH1A1KDM4EMAPK1PIK3CA
SCHEMBL12880836 0.82 MRGPRX4 (0.44) MRGPRX4ALDH1A1KDM4EMAPK1PIK3CA
SCHEMBL1221713 0.82 MRGPRX4 (0.42) MRGPRX4ALDH1A1KDM4EMAPK1PIK3CA

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-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 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 (1 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 MRGPRX4 313/4885ALDH1A1 1686/4885KDM4E 2788/4885

“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.