SCHEMBL4989767

SCHEMBL4989767

CC(C)(C)c1ccc(CNC(=N)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
RAB9A P51151 2/20 0.60
EPHX2 P34913 12/20 0.55
NR1H4 Q96RI1 11/20 0.55
ESRRG P62508 1/20 0.54
HDAC3 O15379 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL456940 0.82 THRB (0.54) LMNAHDAC8HDAC6MEN1KMT2A
SCHEMBL12993420 0.82 RAB9A (0.88) LMNARAB9AEPHX2NR1H4ESRRG
SCHEMBL4989466 0.78 RAB9A (0.54) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL12049334 0.77 ALOX12 (0.72) LMNARAB9AMEN1KMT2AHTT
SCHEMBL11954 0.76 EPHX2 (0.59) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL4881597 0.75 EPHX2 (0.60) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL7113776 0.75 RAB9A (1.00) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL3536168 0.75 LMNA (0.53) LMNARAB9AEPHX2NR1H4ESRRG
SCHEMBL4618832 0.74 EPHX2 (0.68) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL4858212 0.73 LMNA (0.68) LMNARAB9AEPHX2NR1H4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 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 (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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 LMNA 3270/4885RAB9A 4020/4885EPHX2 1285/4885

“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.