SCHEMBL18549321

SCHEMBL18549321

Oc1ccc(O)c(CN(CCNCc2ccccn2)Cc2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
LIN28A Q9H9Z2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHRM2 P08172 1/20 0.45
KDM4E B2RXH2 4/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
APP P05067 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
ALOX15 P16050 3/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SCN8A Q9UQD0 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL18549333 0.87 MAPT (0.65) SMN1; SMN2MAPTLIN28ATDP1KDM4E
SCHEMBL18549341 0.87 MAPT (0.65) SMN1; SMN2MAPTLIN28ATDP1KDM4E
SCHEMBL825189 0.84 SMN1; SMN2 (0.68) SMN1; SMN2MAPTLIN28ATDP1CHRM2
SCHEMBL18549343 0.83 MAPT (0.58) SMN1; SMN2MAPTLIN28ATDP1KDM4E
SCHEMBL18563031 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLIN28ATDP1KDM4E
SCHEMBL29386417 0.77 CHRM2 (0.66) SMN1; SMN2MAPTLIN28ATDP1CHRM2
SCHEMBL18301491 0.77 CHRM2 (0.66) SMN1; SMN2MAPTLIN28ATDP1CHRM2
SCHEMBL18563030 0.77 MAPT (0.61) SMN1; SMN2MAPTLIN28ATDP1KDM4E
SCHEMBL4274463 0.76 CHRM2 (0.66) SMN1; SMN2MAPTLIN28ATDP1CHRM2
SCHEMBL10607691 0.76 CHRM2 (0.64) SMN1; SMN2MAPTLIN28ATDP1CHRM2

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-10233205-B2 Magnetic resonance imaging contrast agent capable of detecting hydrogen peroxide and reducing reactive oxygen species AUBURN UNIVERSITY (US) 2019-03-19 US disclosed
US-20170057986-A1 MAGNETIC RESONANCE IMAGING CONTRAST AGENT CAPABLE OF DETECTING HYDROGEN PEROXIDE AND REDUCING REACTIVE OXYGEN SPECIES NATIONAL SCIENCE FOUNDATION 2017-03-02 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 (2 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-10233205-B2 Magnetic resonance imaging contrast agent capable of detecting hydrogen peroxide and reducing reactive oxygen species PRDX3, GPX4, GPX1 SMN1; SMN2 1007/4885MAPT 3042/4885LIN28A 4689/4885
US-20170057986-A1 MAGNETIC RESONANCE IMAGING CONTRAST AGENT CAPABLE OF DETECTING HYDROGEN PEROXIDE AND REDUCING REACTIVE OXYGEN SPECIES PRDX3, GPX4, GPX1 SMN1; SMN2 1007/4885MAPT 3042/4885LIN28A 4689/4885

“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.