SCHEMBL4530187

SCHEMBL4530187

O=C(Nc1ccccc1)N1CCc2c(cnn2C[C@H](O)CN2CCCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.43
PRMT5 O14744 7/20 0.42
WDR77 Q9BQA1 7/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
NAMPT P43490 2/20 0.42
PDGFRB P09619 1/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4530182 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL4526665 0.85 GAA (0.39) PRMT5WDR77NAMPTKMT2AMAPT
SCHEMBL4526667 0.85 GAA (0.39) PRMT5WDR77NAMPTKMT2AMAPT
SCHEMBL4523482 0.84 HRH3 (0.46) PRMT5WDR77KMT2AMEN1
SCHEMBL4523488 0.84 HRH3 (0.46) PRMT5WDR77KMT2AMEN1
SCHEMBL4537456 0.82 HRH3 (0.41) TP53PRMT5WDR77NAMPTKMT2A
SCHEMBL4537453 0.82 HRH3 (0.41) TP53PRMT5WDR77NAMPTKMT2A
SCHEMBL4528343 0.81 CTSS (0.42) PRMT5WDR77KMT2AATMMEN1
SCHEMBL4528342 0.81 CTSS (0.42) PRMT5WDR77KMT2AATMMEN1
SCHEMBL4522695 0.79 HRH3 (0.41) PRMT5WDR77KMT2AALDH1A1MEN1

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 NPC1 653/4885RAB9A 1129/4885SMN1; SMN2 4554/4885

“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.