SCHEMBL5000326

SCHEMBL5000326

CC(C)(C)c1ccc(Cn2c(-c3ccccc3)nc(O)cc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 10/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
BCL2 P10415 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
METAP2 P50579 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 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
SCHEMBL4740385 0.90 CCR9 (0.45) CCR9KMT2AMEN1METAP2ALDH1A1
SCHEMBL4737051 0.87 BCL2 (0.55) KMT2AMEN1BCL2MCL1SMN1; SMN2
SCHEMBL4737518 0.86 EGLN3 (0.51) CCR9KMT2AMEN1ALDH1A1EGLN3
SCHEMBL4741837 0.85 CCR9 (0.42) CCR9KMT2AMEN1SMN1; SMN2METAP2
SCHEMBL4739209 0.84 EGLN3 (0.46) CCR9KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4739127 0.84 KMT2A (0.44) CCR9KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4739981 0.83 EGLN3 (0.56) CCR9KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4739991 0.83 CCR9 (0.49) CCR9KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4741832 0.82 CCR9 (0.44) CCR9KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4737534 0.82 EGLN3 (0.44) CCR9KMT2AMEN1SMN1; SMN2TP53

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 CCR9 4560/4885KMT2A 734/4885MEN1 2935/4885

“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.