SCHEMBL4159170

SCHEMBL4159170

CCOC(=O)c1cc(NC(=O)Nc2nc(-c3ccccc3)ns2)cc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.61
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 2/20 0.44
GBA1 P04062 1/20 0.44
PLA2G1B P04054 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4159165 0.86 ADORA3 (0.70) ADORA3SMN1; SMN2NPC1RAB9AHTT
SCHEMBL4153007 0.75 SMN1; SMN2 (0.56) ADORA3SMN1; SMN2NPC1RAB9AHTT
SCHEMBL71744 0.74 SMN1; SMN2 (0.72) ADORA3SMN1; SMN2NPC1RAB9AHTT
SCHEMBL4166912 0.73 SMN1; SMN2 (0.56) ADORA3SMN1; SMN2NPC1RAB9AHTT
SCHEMBL15557036 0.72 CYP2C9 (0.55) NPC1RAB9AMEN1KMT2A
SCHEMBL9852174 0.72 ADORA3 (0.77) ADORA3SMN1; SMN2NPC1RAB9AHTT
SCHEMBL16370488 0.71 ALDH1A1 (0.59) ADORA3SMN1; SMN2NPC1RAB9AHTT
SCHEMBL9892914 0.71 SMN1; SMN2 (1.00) ADORA3SMN1; SMN2NPC1RAB9AHTT
SCHEMBL8036269 0.71 KDM4E (0.56) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL6370742 0.69 ADORA3 (0.71) ADORA3SMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 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-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases APP, PSEN2, PSEN1 ADORA3 394/4885SMN1; SMN2 34/4885NPC1 200/4885

“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.