SCHEMBL4396956

SCHEMBL4396956

CCCNCC(O)(CF)CNc1cc(C)cc2c1cnn2-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.56
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12663029 0.93 NR3C1 (0.58) NR3C1
SCHEMBL12663030 0.91 NR3C1 (0.54) NR3C1LMNA
SCHEMBL476867 0.89 NR3C1 (0.69) NR3C1
SCHEMBL12663246 0.87 NR3C1 (0.54) NR3C1KDM4ENPC1ALDH1A1LMNA
SCHEMBL12663031 0.84 NR3C1 (0.56) NR3C1
SCHEMBL4397360 0.83 NR3C1 (0.61) NR3C1
SCHEMBL476759 0.83 NR3C1 (0.71) NR3C1
SCHEMBL4396953 0.82 NR3C1 (0.49) NR3C1
SCHEMBL476796 0.80 NR3C1 (0.66) NR3C1
SCHEMBL12663247 0.79 NR3C1 (0.56) NR3C1KDM4ENPC1ALDH1A1LMNA

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-7947727-B2 Compounds GlaxoGroupLimited (GB) 2011-05-24 US disclosed
US-20100120883-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-05-13 US disclosed
EP-2081910-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008043789-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 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-20100120883-A1 NOVEL COMPOUNDS TSLP, LTB4R2, LTB4R NR3C1 267/4885KDM4E 3491/4885NPC1 733/4885

“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.