SCHEMBL4991431

SCHEMBL4991431

CC(C)CC(CC(C)C)c1nc(O)cc(=O)n1Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 10/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
METAP2 P50579 1/20 0.38
F2R P25116 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
APLNR P35414 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4739991 0.80 CCR9 (0.49) CCR9MEN1KMT2AMETAP2KDM4E
SCHEMBL5000326 0.75 CCR9 (0.47) CCR9MEN1KMT2AMETAP2RAB9A
SCHEMBL4740385 0.75 CCR9 (0.45) CCR9MEN1KMT2AMETAP2
SCHEMBL4741831 0.74 EGLN3 (0.48) CCR9MEN1KMT2AKDM4ENPC1
SCHEMBL4739209 0.74 EGLN3 (0.46) CCR9MEN1KMT2AMETAP2F2R
SCHEMBL4738689 0.73 EGLN3 (0.64) EGLN3
SCHEMBL4739122 0.73 KMT2A (0.47) MEN1KMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL4739981 0.73 EGLN3 (0.56) CCR9MEN1KMT2AMETAP2TP53
SCHEMBL4739114 0.73 NPC1 (0.51) CCR9MEN1KMT2AKDM4ENPC1
SCHEMBL4740088 0.73 CCR9 (0.45) CCR9MEN1KMT2AKDM4ENPC1

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 4560/4885MEN1 2935/4885KMT2A 734/4885

“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.