SCHEMBL13596118

SCHEMBL13596118

Nc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.62
MAOA P21397 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTR2C P28335 1/20 0.50
HTR6 P50406 1/20 0.50
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
BCHE P06276 1/20 0.48
APP P05067 1/20 0.47
NR4A2 P43354 1/20 0.47
S1PR1 P21453 1/20 0.45
ALOX5 P09917 1/20 0.45
LCK P06239 1/20 0.44
ANXA2 P07355 1/20 0.44
S100A10 P60903 1/20 0.44
DHFR P00374 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
SCHEMBL3844659 0.83 MAOB (0.52) MAOBMAOAGAAMAPTRAB9A
SCHEMBL13392603 0.82 S1PR1 (0.48) MAOBMAOAHTR2CHTR6CYP4F2
SCHEMBL13285041 0.82 BCHE (0.51) MAOBMAOACYP4F2CYP4A11BCHE
SCHEMBL13596044 0.80 MAPT (0.65) MAOBGAAMAPTRAB9ASMN1; SMN2
SCHEMBL27903112 0.80 LCK (0.56) MAOBMAOACYP4F2CYP4A11BCHE
SCHEMBL13596117 0.80 MAOB (0.54) MAOBMAOAMAPTRAB9ASMN1; SMN2
SCHEMBL13596041 0.80 MAOB (0.67) MAOBMAOASMN1; SMN2L3MBTL1NR4A2
SCHEMBL3175420 0.79 MAOB (0.61) MAOBMAOAGAAMAPTRAB9A
SCHEMBL1563616 0.79 NR4A2 (0.50) MAOBMAOASMN1; SMN2CYP4F2CYP4A11
SCHEMBL13596039 0.78 NR4A2 (0.52) MAOBSMN1; SMN2NR4A2S1PR1

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-20090318389-A1 AGONISTS OF THE SPHINGOSINE-1 PHOSPHATE RECEPTOR PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-12-24 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-20090318389-A1 AGONISTS OF THE SPHINGOSINE-1 PHOSPHATE RECEPTOR S1PR1, S1PR3, S1PR5 MAOB 4235/4885MAOA 4435/4885GAA 3693/4885

“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.