SCHEMBL12203066

SCHEMBL12203066

CNC(=O)Nc1cc(C(C)(C)C)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.54
NR3C2 P08235 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SYK P43405 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDR P35968 3/20 0.42
CLK2 P49760 1/20 0.42
IRAK1 P51617 1/20 0.42
NEK4 P51957 1/20 0.42
MAP4K2 Q12851 1/20 0.42
HIPK4 Q8NE63 1/20 0.42
SRPK1 Q96SB4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL9475450 0.86 GCK (0.52) GCKNR3C2SMN1; SMN2TP53NPC1
SCHEMBL12203151 0.86 SMN1; SMN2 (0.49) GCKNR3C2SMN1; SMN2TP53NPC1
SCHEMBL16637563 0.86 KDR (0.55) GCKNR3C2MAPTALDH1A1KDR
SCHEMBL84506 0.83 L3MBTL1 (0.52) KDRBRAFMAPK14
SCHEMBL2635471 0.83 NR3C2 (0.47) NR3C2SMN1; SMN2TP53NPC1RAB9A
SCHEMBL12203143 0.83 NR3C2 (0.40) GCKNR3C2SMN1; SMN2TP53NPC1
SCHEMBL12203144 0.83 JAK2 (0.52) NR3C2SMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL5029364 0.82 NR3C2 (0.59) NR3C2
SCHEMBL12203146 0.81 SMN1; SMN2 (0.50) NR3C2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12203072 0.81 MAPK1 (0.47) GCKNR3C2SMN1; SMN2TP53NPC1

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-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US 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 (2 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 GCK 3476/4885NR3C2 329/4885SMN1; SMN2 1775/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 GCK 1253/4885NR3C2 2419/4885SMN1; SMN2 4242/4885

“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.