SCHEMBL3064530

SCHEMBL3064530

N/C(=N\O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
KMT2A Q03164 2/20 0.58
GFER P55789 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 5/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 4/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRAF P15056 2/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM1A O60341 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
PARP10 Q53GL7 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44

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
SCHEMBL3064531 1.00 LMNA (0.58) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL282989 0.82 KDM1A (0.53) LMNAKMT2ARAB9AGAANPC1
SCHEMBL641911 0.82 KDM1A (0.53) LMNAKMT2ARAB9AGAANPC1
SCHEMBL282987 0.82 KDM1A (0.53) LMNAKMT2ARAB9AGAANPC1
SCHEMBL3047604 0.82 CYP19A1 (0.54) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL3047598 0.82 CYP19A1 (0.54) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL1151660 0.81 LMNA (0.62) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL3064538 0.81 LMNA (0.62) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL16856039 0.79 KMT2A (0.60) LMNAKMT2AGFERL3MBTL1RAB9A
SCHEMBL3052606 0.79 LMNA (0.65) LMNAKMT2AGFERL3MBTL1RAB9A

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 3491/4885KMT2A 4009/4885GFER 2056/4885

“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.