SCHEMBL5208549

SCHEMBL5208549

O=CCCCn1cnc(-c2cccnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.63
CYP3A4 P08684 7/20 0.63
CYP2C19 P33261 5/20 0.63
CYP2E1 P05181 4/20 0.63
CYP2C9 P11712 4/20 0.63
CYP2B6 P20813 4/20 0.63
CYP2D6 P10635 2/20 0.58
LOXL2 Q9Y4K0 1/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TLR8 Q9NR97 1/20 0.39
ERN1 O75460 1/20 0.39
CYP1A2 P05177 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PIM1 P11309 2/20 0.38
CYP19A1 P11511 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL5201713 0.96 CYP2A6 (0.62) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5209764 0.92 CYP2A6 (0.67) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL27585593 0.88 CYP2A6 (0.66) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL12478490 0.86 CYP2A6 (0.76) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5014459 0.85 CYP2A6 (0.68) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL7588204 0.83 CYP2A6 (0.67) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL1987084 0.83 CYP2A6 (0.67) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5717914 0.82 CYP2A6 (0.65) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL13750026 0.82 CYP2C9 (0.74) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL708867 0.82 CYP2A6 (0.65) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9

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 8 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
CN-1492874-A Macrolide antibiotics 2004-04-28 CN 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 CYP2A6 522/4885CYP3A4 341/4885CYP2C19 209/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP2A6 522/4885CYP3A4 341/4885CYP2C19 209/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP2A6 562/4885CYP3A4 500/4885CYP2C19 380/4885

“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.