SCHEMBL4495172

SCHEMBL4495172

Nc1c(N)n(-c2cccc(F)c2)c(=S)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
HPGD P15428 1/20 0.38
MDM2 Q00987 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL4566658 0.90 CA12 (0.38) GAAFAAHMGLLCA12CA1
SCHEMBL4454086 0.84 ALDH1A1 (0.49) GAAMGLLCA12CA1CA2
SCHEMBL4456810 0.84 CA12 (0.41) GAAFAAHMGLLCA12CA1
SCHEMBL4465236 0.81 KDM4E (0.50) GAAMGLLCA12CA1CA2
SCHEMBL4500301 0.80 GAA (0.45) GAAMEN1KMT2AKDM4ELMNA
SCHEMBL4489173 0.80 NSD2 (0.42) GAAMEN1KMT2AKDM4ELMNA
SCHEMBL4488530 0.80 MGLL (0.48) GAAMGLLCA12CA1CA2
SCHEMBL4456873 0.78 GAA (0.69) GAAFAAHMGLLCA12CA1
SCHEMBL4457119 0.77 HSD17B10 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL4471023 0.76 MEN1 (0.44) GAAMGLLCA12CA1CA2

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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX GAA 602/4885FAAH 646/4885MGLL 1120/4885

“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.