SCHEMBL3047604

SCHEMBL3047604

NC(=NO)c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.54
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
GFER P55789 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
CHEK2 O96017 1/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46
LTA4H P09960 2/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NAAA Q02083 1/20 0.44
GAA P10253 2/20 0.43
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3047598 1.00 CYP19A1 (0.54) CYP19A1LMNAKMT2AGFERL3MBTL1
SCHEMBL3064530 0.82 LMNA (0.58) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL3064531 0.82 LMNA (0.58) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL3064538 0.81 LMNA (0.62) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL1151660 0.81 LMNA (0.62) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL16114401 0.79 LMNA (0.75) CYP19A1LMNATDP1RAB9ANPC1
SCHEMBL3064503 0.77 KDM4E (0.51) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL3064502 0.77 KDM4E (0.51) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL283482 0.76 F7 (0.59) LMNAKMT2ARAB9ANPC1TP53
SCHEMBL283480 0.76 F7 (0.59) LMNAKMT2ARAB9ANPC1TP53

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-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
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

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 CYP19A1 958/4885LMNA 3491/4885KMT2A 4009/4885

“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.