SCHEMBL12469526

SCHEMBL12469526

FC(F)(F)c1cccc(N2CCN(CCSc3nnnn3-c3ccccc3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.63
TSHR P16473 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
SIGMAR1 Q99720 2/20 0.56
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HTR1A P08908 3/20 0.51
SMO Q99835 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HTR7 P34969 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 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
SCHEMBL12469317 0.94 NPSR1 (0.61) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL12469234 0.84 ALDH1A1 (0.61) NPSR1ALDH1A1MAPTSIGMAR1SLC6A2
SCHEMBL12469411 0.81 SLC6A2 (0.52) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL12469002 0.78 ALDH1A1 (0.58) NPSR1ALDH1A1TSHRSIGMAR1SLC6A2
SCHEMBL12469049 0.77 ALDH1A1 (0.48) ALDH1A1MAPTTSHRSMN1; SMN2L3MBTL1
SCHEMBL12468893 0.77 SIGMAR1 (0.53) ALDH1A1MAPTTSHRSMN1; SMN2SIGMAR1
SCHEMBL12469487 0.76 SLC6A2 (0.52) ALDH1A1MAPTTSHRSMN1; SMN2SLC6A2
SCHEMBL10573394 0.76 SIGMAR1 (0.49) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL7680682 0.76 SIGMAR1 (0.53) ALDH1A1MAPTTSHRSMN1; SMN2SIGMAR1
SCHEMBL12469349 0.76 SLC6A2 (0.56) NPSR1ALDH1A1MAPTTSHRSMN1; SMN2

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.