SCHEMBL5059575

SCHEMBL5059575

Nc1nc2c(s1)CCN(CCCSP(=O)(O)O)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD3 P35462 4/20 0.52
HRH3 Q9Y5N1 5/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR2A P28223 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
OPRK1 P41145 1/20 0.49
RAD52 P43351 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.45
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HDAC6 Q9UBN7 3/20 0.33
HDAC3 O15379 1/20 0.32

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
SCHEMBL5059513 0.84 DRD2 (0.56) DRD2DRD3HRH3MAPTLMNA
SCHEMBL5059578 0.79 DRD2 (0.55) DRD2DRD3HRH3MAPTLMNA
SCHEMBL15996427 0.77 DRD3 (0.56) DRD2DRD3HRH3MAPTLMNA
SCHEMBL15075331 0.76 DRD2 (0.55) DRD2DRD3HRH3MAPTLMNA
SCHEMBL4628121 0.75 DRD3 (0.63) DRD2DRD3HRH3MAPTLMNA
Hydrochloric Acid SCHEMBL11395621 0.74 MAPT (0.62) DRD2DRD3HRH3MAPTLMNA
SCHEMBL7428923 0.72 APOBEC3A (0.31) DRD2DRD3HRH3MAPTLMNA
Hydrochloric Acid SCHEMBL10657526 0.72 RAD52 (0.63) DRD2DRD3HRH3MAPTLMNA
SCHEMBL563307 0.70 RAD52 (0.79) DRD2DRD3HRH3MAPTLMNA
SCHEMBL7292227 0.69 DRD2 (0.62) DRD2DRD3HRH3MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions KIACTA SARL (CH) 2006-06-01 US disclosed
US-6670399-B2 Contacting a blood vessel wall cell with an A beta 40 inhibitor, such that cerebral amyloid angiopathy is inhibited NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-12-30 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 (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-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy APP, PYGB, MAPT DRD2 4336/4885DRD3 4365/4885HRH3 665/4885
US-20060116347-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 DRD2 4861/4885DRD3 4745/4885HRH3 1128/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 DRD2 4873/4885DRD3 4801/4885HRH3 1252/4885

“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.