SCHEMBL4741265

SCHEMBL4741265

CC(C)(C)c1ccc(Cn2c(C3CCCCCC3)nc(O)cc2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CCR9 P51686 10/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MDM2 Q00987 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ALOX5AP P20292 1/20 0.38
PDE2A O00408 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4740407 1.00 NPC1 (0.50) NPC1RAB9AKDM4ECCR9KMT2A
SCHEMBL4739114 0.99 NPC1 (0.51) NPC1RAB9AKDM4ECCR9KMT2A
SCHEMBL4740381 0.89 MDM2 (0.47) NPC1RAB9AKDM4ECCR9MDM2
SCHEMBL4741309 0.85 KMT2A (0.39) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4740498 0.83 CCR2 (0.41) POLBSMN1; SMN2
SCHEMBL4739991 0.80 CCR9 (0.49) NPC1RAB9AKDM4ECCR9KMT2A
SCHEMBL4742638 0.80 ALDH1A1 (0.40) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL4739155 0.80 KDM4E (0.41) NPC1RAB9AKDM4ECCR9KMT2A
SCHEMBL4739256 0.78 CCR9 (0.42) NPC1RAB9AKDM4ECCR9KMT2A
SCHEMBL4739117 0.76 ALDH1A1 (0.47) NPC1RAB9AKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed
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 NPC1 1817/4885RAB9A 4020/4885KDM4E 746/4885

“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.