SCHEMBL367738

SCHEMBL367738

COC(=O)c1nc2c(N3CCOC3=O)cc(Br)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
FAAH O00519 2/20 0.38
GRM5 P41594 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.33
MAP4K1 Q92918 1/20 0.33
MGAT2 Q10469 1/20 0.33
TYK2 P29597 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL369721 0.95 LMNA (0.38) NAAALMNAHPGDFAAHGRM5
SCHEMBL368773 0.89 NAAA (0.38) NAAALMNAHPGDFAAHGRM5
SCHEMBL1221123 0.87 MRGPRX4 (0.43) NAAALMNAHPGDFAAHMAPT
SCHEMBL371019 0.87 MAPK1 (0.40) NAAALMNAHPGDFAAHMAPT
SCHEMBL10069879 0.86 TYK2 (0.32) CNR2TYK2SMN1; SMN2
SCHEMBL369332 0.86 LMNA (0.41) LMNAHPGDFAAHTP53MAPT
SCHEMBL369238 0.86 LMNA (0.39) LMNAHPGDFAAHTP53MAPT
SCHEMBL368995 0.85 HPGD (0.41) LMNAHPGDFAAHTP53MAPT
SCHEMBL15097284 0.85 LMNA (0.38) LMNAHPGDFAAHTP53MAPT
SCHEMBL368528 0.84 LMNA (0.37) NAAALMNAHPGDFAAHGRM5

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 NAAA 1747/4885LMNA 4293/4885HPGD 2087/4885

“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.