SCHEMBL4740381

SCHEMBL4740381

O=c1cc(O)nc(C2CCCCC2)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.47
ALOX5AP P20292 2/20 0.46
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGER4 P35408 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CCR9 P51686 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
ADORA1 P30542 1/20 0.38
TP53 P04637 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL4741265 0.89 NPC1 (0.50) MDM2ALOX5APKDM4ENPC1RAB9A
SCHEMBL4740407 0.89 NPC1 (0.50) MDM2ALOX5APKDM4ENPC1RAB9A
SCHEMBL4739114 0.87 NPC1 (0.51) MDM2ALOX5APKDM4ENPC1RAB9A
SCHEMBL4741309 0.85 KMT2A (0.39) ALOX5APKDM4EALDH1A1NPC1RAB9A
SCHEMBL4740498 0.83 CCR2 (0.41)
SCHEMBL4739117 0.76 ALDH1A1 (0.47) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL4738691 0.73 EGLN1 (0.59) MDM2PTGDR2
SCHEMBL2611304 0.72 HDAC6 (0.48) MDM2ALOX5APKDM4ENPC1RAB9A
SCHEMBL17540008 0.72 RAB9A (0.47) MDM2ALOX5APKDM4EALDH1A1NPC1
SCHEMBL2619341 0.71 HDAC6 (0.48) MDM2KDM4ENPC1RAB9ATP53

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 MDM2 2479/4885ALOX5AP 2204/4885HSD11B1 868/4885

“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.