SCHEMBL13979656

SCHEMBL13979656

CO/N=C(\N)c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
HDAC1 Q13547 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KLKB1 P03952 5/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GAA P10253 1/20 0.44
HPN P05981 1/20 0.44
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4A O75164 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 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
SCHEMBL18300399 0.87 NAMPT (0.47) NAMPTHDAC1L3MBTL1CA1CA2
SCHEMBL18300400 0.87 NAMPT (0.47) NAMPTHDAC1L3MBTL1CA1CA2
SCHEMBL10180239 0.86 NAMPT (0.51) NAMPTHDAC1L3MBTL1CA1CA2
SCHEMBL17684726 0.86 NAMPT (0.51) NAMPTHDAC1L3MBTL1CA1CA2
SCHEMBL17684727 0.86 NAMPT (0.51) NAMPTHDAC1L3MBTL1CA1CA2
SCHEMBL8220824 0.83 EPHX2 (0.60) NAMPTHDAC1L3MBTL1CA1CA2
SCHEMBL12287140 0.83 PRSS1 (0.46) NAMPTHDAC1L3MBTL1CA1CA2
SCHEMBL24832467 0.83 HDAC1 (0.48) NAMPTHDAC1L3MBTL1CA1CA2
SCHEMBL3180689 0.81 L3MBTL1 (0.61) NAMPTHDAC1L3MBTL1CA1CA2
SCHEMBL24267754 0.81 NAMPT (0.49) NAMPTHDAC1L3MBTL1CA1CA2

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-20080319206-A1 Process for Preparing Protected Amidines ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080319206-A1 Process for Preparing Protected Amidines ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1856035-B1 PROCESS FOR PREPARAING PROTECTED AMIIDINES ASTRAZENECA AB (SE) 2008-12-10 EP 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-20080319206-A1 Process for Preparing Protected Amidines HK1, HRH4, PYM1 NAMPT 2167/4885HDAC1 231/4885L3MBTL1 2760/4885

“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.