SCHEMBL5717828

SCHEMBL5717828

NC(=O)CCSc1cnc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.52
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 5/20 0.49
HPGD P15428 5/20 0.49
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 4/20 0.49
PRNP P04156 2/20 0.49
MAPK10 P53779 1/20 0.49
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL5188958 0.86 GAA (0.72) KDM4EGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL5717746 0.84 KDM4E (0.74) KDM4EGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL5191625 0.76 KDM4E (1.00) KDM4EGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL4055817 0.74 ALDH1A1 (0.73) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13134324 0.72 KDM4E (0.53) KDM4EGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL1905100 0.72 KDM4E (0.53) KDM4EGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL8467073 0.72 KDM4E (0.52) KDM4EGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL12990926 0.71 KDM4E (0.59) KDM4EGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL11269801 0.69 HPGD (0.51) KDM4EGAASMN1; SMN2ALDH1A1NPC1
SCHEMBL14355829 0.69 HPGD (0.64) KDM4EGAASMN1; SMN2ALDH1A1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885GAA 593/4885SMN1; SMN2 3554/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885GAA 593/4885SMN1; SMN2 3554/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KDM4E 1358/4885GAA 584/4885SMN1; SMN2 3041/4885

“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.