SCHEMBL4994487

SCHEMBL4994487

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
PTGES O14684 2/20 0.51
ALOX5 P09917 2/20 0.51
EPHX1 P07099 5/20 0.44
CYP2D6 P10635 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
ADRA2A P08913 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL4985082 0.92 NR1H4 (0.49) NR1H4PTGESALOX5EPHX1CYP2D6
Hydrochloric Acid SCHEMBL4985557 0.91 NR1H4 (0.48) NR1H4PTGESALOX5EPHX1CYP2D6
SCHEMBL4981786 0.87 HDAC8 (0.43) NR1H4PTGESALOX5EPHX1CYP2D6
Hydrochloric Acid SCHEMBL4982644 0.86 HDAC8 (0.43) NR1H4PTGESALOX5CYP2D6NR1I2
SCHEMBL4980138 0.85 NR1H4 (0.44) NR1H4PTGESALOX5EPHX1CYP2D6
SCHEMBL4981260 0.85 NR4A2 (0.50) NR1H4PTGESALOX5MEN1KMT2A
Hydrochloric Acid SCHEMBL4985726 0.84 NR1H4 (0.43) NR1H4PTGESALOX5EPHX1CYP2D6
Hydrochloric Acid SCHEMBL4985642 0.84 NR4A2 (0.49) NR1H4PTGESALOX5MEN1KMT2A
SCHEMBL4983016 0.84 NR1H4 (0.39) NR1H4PTGESALOX5EPHX1CYP2D6
SCHEMBL28128819 0.84 NPC1 (0.53) MEN1KMT2ARAB9ANPC1ALDH1A1

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 NR1H4 1509/4885PTGES 589/4885ALOX5 1656/4885

“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.