SCHEMBL5017010

SCHEMBL5017010

SCCCn1cnc2cncnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.49
LTA4H P09960 1/20 0.48
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ADORA2A P29274 5/20 0.39
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
CYP1A2 P05177 5/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
USP2 O75604 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ADCY5 O95622 3/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL4020850 0.90 FDPS (0.51) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL5017550 0.85 FDPS (0.50) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL5017009 0.83 FDPS (0.49) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL7102528 0.83 FDPS (0.49) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL11249434 0.83 FDPS (0.49) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL6950642 0.83 ADORA2A (0.53) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL8088086 0.82 FDPS (0.48) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL8656700 0.82 FDPS (0.48) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL3691691 0.82 FDPS (0.48) FDPSLTA4HHDAC1HDAC6ADORA2A
SCHEMBL8464130 0.81 FDPS (0.50) FDPSLTA4HHDAC1HDAC6ADORA2A

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-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 CN disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
CN-1464880-A New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-12-31 CN disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 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 (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-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 FDPS 2457/4885LTA4H 311/4885HDAC1 100/4885

“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.