SCHEMBL4739113

SCHEMBL4739113

O=c1cc(O)nc(C2CCCCC2)n1-c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.47
APLNR P35414 4/20 0.44
CXCR2 P25025 1/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
BRCA1 P38398 1/20 0.37
PTPN11 Q06124 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4786165 0.91 APLNR (0.52) MDM2APLNRNOS1NOS2MEN1
SCHEMBL4740213 0.82 KMT2A (0.42) MDM2APLNRMEN1USP2KMT2A
SCHEMBL4739979 0.81 MDM2 (0.45) MDM2APLNRMEN1KMT2AALDH1A1
SCHEMBL4740112 0.81 APLNR (0.53) MDM2APLNRMEN1USP2KMT2A
SCHEMBL4739124 0.78 HPGD (0.43) APLNRMEN1USP2KMT2AKDM4E
SCHEMBL4737525 0.77 KMT2A (0.54) APLNRMEN1USP2KMT2AKDM4E
SCHEMBL4740337 0.77 KMT2A (0.42) APLNRMEN1USP2KMT2AKDM4E
SCHEMBL4741836 0.77 KMT2A (0.44) MDM2APLNRMEN1USP2KMT2A
SCHEMBL4739974 0.76 ALDH1A1 (0.38) MDM2APLNRMEN1USP2KMT2A
SCHEMBL4738618 0.75 GAA (0.44) MEN1USP2KMT2AKDM4EALDH1A1

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 2479/4885APLNR 2034/4885CXCR2 3077/4885

“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.