SCHEMBL5319798

SCHEMBL5319798

COC(=O)CCn1cnc(-c2cccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.46
ADORA2A P29274 4/20 0.44
ADORA1 P30542 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL5717659 0.83 HDAC3 (0.40) ADORA2AADORA1ALDH1A1KDM4ERAB9A
SCHEMBL5717569 0.80 LTB4R (0.48) SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL5211381 0.76 CYP2A6 (0.63) ALDH1A1KDM4ENPC1HDAC3HDAC4
SCHEMBL5717622 0.76 FYN (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
SCHEMBL5211426 0.75 FYN (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
SCHEMBL28813539 0.73 QPCT (0.45) ALDH1A1KDM4EKAT2B
SCHEMBL12427201 0.71 FYN (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDNPC1
SCHEMBL3039757 0.70 LTB4R (0.44) SMN1; SMN2ALDH1A1MAPTHDAC3HDAC4
SCHEMBL19359839 0.70 KAT2B (0.35) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL5759169 0.70 HPGDS (0.54) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
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
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO 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 MIF 1423/4885ADORA2A 4763/4885ADORA1 3406/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 MIF 1423/4885ADORA2A 4763/4885ADORA1 3406/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 MIF 1157/4885ADORA2A 4783/4885ADORA1 3252/4885

“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.