SCHEMBL4989474

SCHEMBL4989474

CC(C)(C)c1ccc(CNC(N)=Nc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
RAB9A P51151 1/20 0.52
EPHX2 P34913 8/20 0.50
NR1H4 Q96RI1 6/20 0.50
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
SLC22A3 O75751 1/20 0.47
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.46
NOS1 P29475 1/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL4628685 0.73 ALDH1A1 (0.56) LMNARAB9ASLC22A2SLC22A1SLC22A3
SCHEMBL12049334 0.73 ALOX12 (0.72) LMNARAB9AHTTTDP1MAPT
SCHEMBL11954 0.73 EPHX2 (0.59) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL9427403 0.73 EPHX2 (0.59) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL2827305 0.73 EPHX2 (0.69) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL4881597 0.72 EPHX2 (0.60) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL1273781 0.72 NOS1 (0.59) LMNASLC22A2SLC22A1SLC22A3GRIN2D
SCHEMBL12993420 0.72 RAB9A (0.88) LMNARAB9AEPHX2NR1H4HDAC3
SCHEMBL9453453 0.71 NOS1 (0.63) LMNASLC22A2SLC22A1SLC22A3GRIN2D
SCHEMBL4989767 0.71 LMNA (0.60) LMNARAB9AEPHX2NR1H4HTT

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.