SCHEMBL4740500

SCHEMBL4740500

O=c1cc(O)nc(C2CCCCC2)n1-c1cc(Br)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.38
MDM2 Q00987 2/20 0.36
KMT2A Q03164 7/20 0.34
MEN1 O00255 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
DRD1 P21728 2/20 0.32

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
SCHEMBL4740112 0.84 APLNR (0.53) APLNRMDM2KMT2AMEN1ALDH1A1
SCHEMBL4740367 0.81 APLNR (0.39) APLNRMDM2ALDH1A1DRD1DRD5
SCHEMBL4739979 0.80 MDM2 (0.45) APLNRMDM2KMT2AMEN1ALDH1A1
SCHEMBL4740337 0.79 KMT2A (0.42) APLNRKMT2AMEN1ALDH1A1HTT
SCHEMBL4741836 0.78 KMT2A (0.44) APLNRMDM2KMT2AMEN1ALDH1A1
SCHEMBL4739975 0.76 KMT2A (0.38) APLNRMDM2KMT2AMEN1ALDH1A1
SCHEMBL4786165 0.76 APLNR (0.52) APLNRMDM2KMT2AMEN1ALDH1A1
SCHEMBL4741309 0.74 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EUSP2
SCHEMBL4737525 0.74 KMT2A (0.54) APLNRKMT2AMEN1ALDH1A1HTT
SCHEMBL4989808 0.73 EGLN1 (0.42) KMT2AMEN1HTTMAPTSMN1; SMN2

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 APLNR 2034/4885MDM2 2479/4885KMT2A 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.