SCHEMBL5016785

SCHEMBL5016785

Nc1ccn(CC[S])c(=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.43
SLC22A6 Q4U2R8 1/20 0.42
EP300 Q09472 9/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
THRB P10828 1/20 0.36
MTOR P42345 1/20 0.36
MDM2 Q00987 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PDE3A Q14432 3/20 0.35
CACNA1F O60840 2/20 0.35
ALB P02768 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
CYP2D6 P10635 1/20 0.34
DNMT1 P26358 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL23343373 0.85 FGFR1 (0.44) FGFR1SLC22A6EP300MAPTLMNA
SCHEMBL6379845 0.83 FGFR1 (0.43) FGFR1SLC22A6EP300MAPTLMNA
SCHEMBL22078831 0.81 FGFR1 (0.43) FGFR1SLC22A6EP300MAPTLMNA
SCHEMBL1765906 0.81 FGFR1 (0.43) FGFR1SLC22A6EP300MAPTLMNA
SCHEMBL3260493 0.81 FGFR1 (0.43) FGFR1SLC22A6EP300MAPTLMNA
SCHEMBL3680116 0.81 FGFR1 (0.52) FGFR1SLC22A6EP300MAPTLMNA
SCHEMBL2967556 0.81 FGFR1 (0.43) FGFR1SLC22A6EP300MAPT
SCHEMBL16446911 0.80 FGFR1 (0.47) FGFR1SLC22A6EP300MAPTLMNA
SCHEMBL1532184 0.80 FGFR1 (0.42) FGFR1SLC22A6EP300MAPTLMNA
SCHEMBL19631097 0.79 FGFR1 (0.45) FGFR1SLC22A6EP300LMNA

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 3 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
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
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 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 (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 FGFR1 1575/4885SLC22A6 521/4885EP300 4677/4885

“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.