SCHEMBL611979

SCHEMBL611979

[CH]c1ccc(OC(N)=O)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALOX12 P18054 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.47
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CCR6 P51684 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
BCHE P06276 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
SCHEMBL611980 1.00 KDM4E (0.50) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL28453502 0.82 KDM4E (0.54) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL28190368 0.78 KDM4E (0.47) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL111242 0.74 LMNA (0.65) KDM4ETDP1GAAHTTSMN1; SMN2
Carbamic Acid SCHEMBL28080599 0.73 LMNA (0.68) KDM4ETDP1GAAHTTSMN1; SMN2
SCHEMBL28453496 0.72 PLAU (0.49) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL10488788 0.71 KDM4E (0.77) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL7626781 0.70 MKNK1 (0.46) MEN1KMT2ALMNAMETAP2METAP1
SCHEMBL13261482 0.70 MAOB (0.58) KDM4EALOX12TDP1GAAHTT
SCHEMBL19475149 0.70 FABP5 (0.49) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 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-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A KDM4E 3218/4885ALOX12 518/4885TDP1 3788/4885

“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.