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Sugi Predict / Compounds / SCHEMBL368368

SCHEMBL368368

SCHEMBL368368

O=C(NCc1ccc(F)cc1)c1nc2c(N3CCNCC3=O)cc(N3CCNCC3)cn2c(=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CALCA P06881 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ KCNE1 P15382 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ KCNQ1 P51787 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ USP25 Q9UHP3 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
SCHEMBL368488 0.96 CYP2C9 (0.41) ERCC1FEN1ERCC4CYP2C9KCNH2
SCHEMBL368920 0.95 CYP2C9 (0.41) ERCC1FEN1ERCC4CYP2C9KCNH2
SCHEMBL368726 0.94 PSMD14 (0.40) ERCC1FEN1ERCC4CYP2C9KCNH2
SCHEMBL368702 0.94 CYP2C9 (0.39) ERCC1FEN1ERCC4CYP2C9KCNH2
SCHEMBL367823 0.88 TTK (0.39) ERCC1FEN1ERCC4CYP2C9KCNH2
SCHEMBL367927 0.88 CYP2C9 (0.43) ERCC1FEN1ERCC4CYP2C9KCNH2
SCHEMBL368604 0.86 SCN9A (0.34) CYP2C9KCNH2CYP3A4CYP2C19LMNA
SCHEMBL367904 0.85 KCNH2 (0.37) ERCC1FEN1ERCC4CYP2C9KCNH2
SCHEMBL10070421 0.85 CALCA (0.49) ERCC1FEN1ERCC4CYP2C9KCNH2
SCHEMBL368029 0.84 KCNH2 (0.43) ERCC1FEN1ERCC4CYP2C9KCNH2

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 6 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
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
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 ERCC1 3947/4885FEN1 590/4885ERCC4 1194/4885

“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.