SCHEMBL4784786

SCHEMBL4784786

O=c1cc(O)nc(-c2ccsc2)n1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 3/20 0.38
HTR6 P50406 2/20 0.38
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
STAT3 P40763 1/20 0.36
BCAT2 O15382 1/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HCRTR1 O43613 1/20 0.36
USP2 O75604 1/20 0.36
CNR1 P21554 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
SCHEMBL4739120 0.83 MAPT (0.49) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4742636 0.75 GAA (0.48) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4737536 0.74 ALDH1A1 (0.51) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4740503 0.74 ALDH1A1 (0.44) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4739136 0.72 GAA (0.44) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4738618 0.72 GAA (0.44) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4988775 0.71 EGLN1 (0.53)
SCHEMBL4739177 0.69 MAPT (0.49) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4741830 0.67 MAPT (0.47) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL28264649 0.66 KDR (0.39) MAPTMEN1KMT2AGAAHTR6

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 MAPT 4781/4885MEN1 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.