SCHEMBL3052608

SCHEMBL3052608

COc1ccc(Oc2ccc(C(N)=NO)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
KMT2A Q03164 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
GFER P55789 1/20 0.65
PARP10 Q53GL7 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 5/20 0.54
GAA P10253 4/20 0.54
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
NPC1 O15118 4/20 0.50
MAPT P10636 2/20 0.50
LTA4H P09960 2/20 0.50

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
SCHEMBL3052606 1.00 LMNA (0.65) LMNAKMT2AL3MBTL1GFERPARP10
SCHEMBL103227 0.94 SMN1; SMN2 (0.63) LMNAKMT2AL3MBTL1GFERPARP10
SCHEMBL103228 0.94 SMN1; SMN2 (0.63) LMNAKMT2AL3MBTL1GFERPARP10
SCHEMBL18796192 0.84 PTGIR (0.65) LMNAKMT2AL3MBTL1GFERPARP10
SCHEMBL3064538 0.82 LMNA (0.62) LMNAKMT2AL3MBTL1GFERPARP10
SCHEMBL1151660 0.82 LMNA (0.62) LMNAKMT2AL3MBTL1GFERPARP10
SCHEMBL16856039 0.81 KMT2A (0.60) LMNAKMT2AL3MBTL1GFERPARP10
SCHEMBL20263737 0.81 KMT2A (0.60) LMNAKMT2AL3MBTL1GFERPARP10
SCHEMBL3064531 0.79 LMNA (0.58) LMNAKMT2AL3MBTL1GFERPARP10
SCHEMBL3064530 0.79 LMNA (0.58) LMNAKMT2AL3MBTL1GFERPARP10

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 LMNA 3491/4885KMT2A 4009/4885L3MBTL1 1877/4885

“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.