SCHEMBL3064503

SCHEMBL3064503

NC(=NO)c1ccc(Oc2cnccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.47
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 4/20 0.45
GAA P10253 2/20 0.45
LTA4H P09960 1/20 0.44
PTGS2 P35354 1/20 0.44
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLAU P00749 1/20 0.41
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PLAAT3 P53816 1/20 0.37

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
SCHEMBL3064502 1.00 KDM4E (0.51) KDM4ESMN1; SMN2KMT2ALMNAGFER
SCHEMBL3058077 0.80 LMNA (0.48) KMT2ALMNAGFERL3MBTL1RAB9A
SCHEMBL3058074 0.80 LMNA (0.48) KMT2ALMNAGFERL3MBTL1RAB9A
SCHEMBL3064530 0.77 LMNA (0.58) SMN1; SMN2KMT2ALMNAGFERL3MBTL1
SCHEMBL3064531 0.77 LMNA (0.58) SMN1; SMN2KMT2ALMNAGFERL3MBTL1
SCHEMBL3047604 0.77 CYP19A1 (0.54) SMN1; SMN2KMT2ALMNAGFERL3MBTL1
SCHEMBL3047598 0.77 CYP19A1 (0.54) SMN1; SMN2KMT2ALMNAGFERL3MBTL1
SCHEMBL18355733 0.76 KMT2A (0.68) KDM4ESMN1; SMN2KMT2ALMNAL3MBTL1
SCHEMBL5317075 0.75 KDM4E (0.62) KDM4ESMN1; SMN2KMT2ARAB9ALTA4H
SCHEMBL4799638 0.75 KDM4E (0.62) KDM4ESMN1; SMN2KMT2ARAB9ALTA4H

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 KDM4E 1518/4885SMN1; SMN2 3649/4885KMT2A 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.