SCHEMBL4740503

SCHEMBL4740503

O=c1cc(O)nc(-c2c(Br)cccc2Br)n1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 4/20 0.42
USP2 O75604 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HCRTR1 O43613 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.38
APLNR P35414 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
SCHEMBL4737536 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4739120 0.80 MAPT (0.49) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4742636 0.75 GAA (0.48) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4784786 0.74 MAPT (0.40) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4739136 0.72 GAA (0.44) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4738618 0.72 GAA (0.44) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4988651 0.69 EGLN1 (0.53) ALDH1A1NPSR1HTTLMNA
SCHEMBL4741830 0.69 MAPT (0.47) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4739177 0.69 MAPT (0.49) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4740150 0.67 MAPT (0.44) ALDH1A1MEN1KMT2AGAAMAPT

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 ALDH1A1 513/4885MEN1 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.