SCHEMBL3070197

SCHEMBL3070197

FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
THRB P10828 1/20 0.62
S1PR1 P21453 7/20 0.61
NR1H4 Q96RI1 4/20 0.61
CHUK O15111 1/20 0.58
TXNRD1 Q16881 1/20 0.58
NOX4 Q9NPH5 1/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 1/20 0.56
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
CASP3 P42574 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL35210425 0.89 S1PR1 (0.66) LMNATHRBS1PR1NPC1RAB9A
SCHEMBL13089335 0.89 LMNA (0.62) LMNATHRBS1PR1NR1H4CHUK
SCHEMBL3061859 0.89 LMNA (0.62) LMNATHRBS1PR1NR1H4CHUK
SCHEMBL13099319 0.88 SMPD1 (0.60) LMNATHRBS1PR1NR1H4CHUK
SCHEMBL3053264 0.88 LMNA (0.60) LMNATHRBS1PR1NR1H4CHUK
SCHEMBL3057686 0.88 LMNA (0.60) LMNATHRBS1PR1NR1H4CHUK
SCHEMBL20968213 0.87 NR1H4 (0.73) LMNAS1PR1NR1H4NPC1RAB9A
SCHEMBL19968977 0.84 LMNA (0.56) LMNATHRBS1PR1NR1H4CHUK
SCHEMBL16602946 0.83 LMNA (0.62) LMNATHRBS1PR1NR1H4CHUK
Hydrochloric Acid SCHEMBL35210424 0.83 LMNA (0.55) LMNATHRBS1PR1NR1H4CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-9045442-B2 Antibacterial compounds and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-06-02 US disclosed
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-10-14 US disclosed
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-10-14 US disclosed
US-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-10-14 US disclosed
WO-2009082398-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-07-02 WO disclosed
WO-2009082398-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-07-02 WO disclosed
WO-2009041972-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-04-02 WO disclosed
WO-2009041972-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-04-02 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-20100261673-A1 ANTIBACTERIAL COMPOUNDS AND METHODS OF USING SAME SPOUT1, MRPL21, NPEPPS LMNA 3491/4885THRB 4185/4885S1PR1 3905/4885

“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.