SCHEMBL369332

SCHEMBL369332

COC(=O)c1nc2c(N3CCCC3=O)cc(Br)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MGAT2 Q10469 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NMT1 P30419 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX7 Q99572 1/20 0.34
P2RX3 P56373 1/20 0.34
DHODH Q02127 1/20 0.34
FAAH O00519 1/20 0.34
CNR2 P34972 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
F10 P00742 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
SCHEMBL368995 0.97 HPGD (0.41) LMNAHPGDMGAT2NR1H4TP53
SCHEMBL15097284 0.89 LMNA (0.38) LMNAHPGDTP53MAPTUSP2
SCHEMBL369721 0.88 LMNA (0.38) LMNAHPGDTP53MAPTUSP2
SCHEMBL369238 0.87 LMNA (0.39) LMNAHPGDTP53MAPTUSP2
SCHEMBL369160 0.86 MAPK1 (0.41) LMNAHPGDMAPTUSP2ALDH1A1
SCHEMBL10070426 0.86 ALDH1A1 (0.35) LMNAHPGDNR1H4NMT1ALDH1A1
SCHEMBL367738 0.86 NAAA (0.39) LMNAHPGDMGAT2TP53MAPT
SCHEMBL1222306 0.86 MRGPRX4 (0.43) LMNAHPGDMAPTALDH1A1TSHR
SCHEMBL369582 0.85 LMNA (0.38) LMNAHPGDTP53MAPTUSP2
SCHEMBL367531 0.84 MAPK1 (0.40) LMNAHPGDMAPTUSP2ALDH1A1

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 LMNA 4293/4885HPGD 2087/4885MGAT2 1803/4885

“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.