SCHEMBL5017277

SCHEMBL5017277

ClCCn1cnc2cncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LTA4H P09960 1/20 0.50
CYP1A2 P05177 10/20 0.38
CYP2C19 P33261 7/20 0.38
ALDH1A1 P00352 7/20 0.38
TSHR P16473 6/20 0.38
CYP2C9 P11712 6/20 0.38
CYP3A4 P08684 5/20 0.38
LMNA P02545 5/20 0.38
MEN1 O00255 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2B P29275 2/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 5/20 0.36
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 2/20 0.35
CYP2D6 P10635 3/20 0.35

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
SCHEMBL5017550 0.91 FDPS (0.50) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28817988 0.85 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL9597540 0.82 FDPS (0.55) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL30166038 0.82 FDPS (0.55) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL10163117 0.82 FDPS (0.51) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL3671306 0.82 FDPS (0.51) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL4020843 0.82 FDPS (0.51) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL31024294 0.82 FDPS (0.51) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL6259635 0.82 FDPS (0.55) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28231111 0.82 FDPS (0.51) FDPSHDAC1HDAC6LTA4HCYP1A2

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 2457/4885HDAC1 100/4885HDAC6 299/4885

“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.