SCHEMBL4526667

SCHEMBL4526667

O=C(Nc1cccs1)N1CCc2c(cnn2C[C@H](O)CN2CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
PRMT5 O14744 9/20 0.39
WDR77 Q9BQA1 9/20 0.39
ALDH1A1 P00352 2/20 0.37
CTSS P25774 1/20 0.37
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TNNI3 P19429 1/20 0.35
MAPK1 P28482 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
NAMPT P43490 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
SCHEMBL4526665 1.00 GAA (0.39) GAAPRMT5WDR77ALDH1A1CTSS
SCHEMBL4530182 0.85 NPC1 (0.49) GAAPRMT5WDR77ALDH1A1MEN1
SCHEMBL4530187 0.85 NPC1 (0.49) GAAPRMT5WDR77ALDH1A1MEN1
SCHEMBL4523488 0.81 HRH3 (0.46) PRMT5WDR77CTSSMEN1KMT2A
SCHEMBL4523482 0.81 HRH3 (0.46) PRMT5WDR77CTSSMEN1KMT2A
SCHEMBL4537456 0.79 HRH3 (0.41) PRMT5WDR77MEN1KMT2AMAPK1
SCHEMBL4537453 0.79 HRH3 (0.41) PRMT5WDR77MEN1KMT2AMAPK1
SCHEMBL4528342 0.78 CTSS (0.42) PRMT5WDR77CTSSMEN1KMT2A
SCHEMBL4528343 0.78 CTSS (0.42) PRMT5WDR77CTSSMEN1KMT2A
SCHEMBL4522700 0.76 HRH3 (0.41) PRMT5WDR77ALDH1A1CTSSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 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-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK GAA 584/4885PRMT5 3854/4885WDR77 2843/4885

“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.