SCHEMBL12469317

SCHEMBL12469317

FC(F)(F)c1cccc(N2CCN(CCCSc3nnnn3-c3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SIGMAR1 Q99720 2/20 0.57
HTR7 P34969 2/20 0.52
DRD2 P14416 8/20 0.50
DRD3 P35462 6/20 0.50
ADRA1A P35348 4/20 0.50
HTR1A P08908 3/20 0.49
SMO Q99835 1/20 0.49
HTR2A P28223 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
DRD5 P21918 1/20 0.48

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
SCHEMBL12469526 0.94 NPSR1 (0.63) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL12469002 0.85 ALDH1A1 (0.58) NPSR1ALDH1A1TSHRSLC6A2SLC6A3
SCHEMBL12469349 0.82 SLC6A2 (0.56) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL7680682 0.82 SIGMAR1 (0.53) ALDH1A1MAPTTSHRSMN1; SMN2SLC6A2
SCHEMBL4608504 0.79 HTR7 (0.53) ALDH1A1MAPTTSHRSMN1; SMN2SLC6A2
SCHEMBL12469234 0.79 ALDH1A1 (0.61) NPSR1ALDH1A1MAPTSLC6A2SLC6A3
SCHEMBL7677748 0.78 SIGMAR1 (0.54) SIGMAR1HTR7DRD2DRD3ADRA1A
SCHEMBL12469226 0.78 ALDH1A1 (0.48) NPSR1ALDH1A1MAPTTSHRDRD2
SCHEMBL12468732 0.78 DRD2 (0.54) SIGMAR1HTR7DRD2DRD3ADRA1A
SCHEMBL7047571 0.78 DRD2 (0.64) ALDH1A1MAPTTSHRSMN1; SMN2SLC6A2

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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES EPIOMED THERAPEUTICS, INC. (US) 2013-10-31 US disclosed
WO-2012051601-A2 HETEROARYLTHIO COMPOUNDS EPIOMED THERAPEUTICS, INC. (US) 2012-04-19 WO 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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES NLN, HTT, ABAT NPSR1 1962/4885ALDH1A1 2297/4885MAPT 5/4885

“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.