SCHEMBL13596117

SCHEMBL13596117

O=[N+]([O-])c1ccc(Sc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.54
MAOA P21397 2/20 0.54
MAPT P10636 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CTSV O60911 3/20 0.51
CTSL P07711 3/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TLR4 O00206 1/20 0.50
TLR2 O60603 1/20 0.50
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL3796338 0.84 MEN1 (0.47) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL4411578 0.83 PDE7A (0.51) MAOBMAOAMEN1KMT2ATLR4
SCHEMBL30443578 0.81 MAOB (0.63) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL2965418 0.81 MAOB (0.63) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL13192707 0.80 MAOB (0.57) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL13596118 0.80 MAOB (0.62) MAOBMAOAMAPTSMN1; SMN2L3MBTL1
SCHEMBL18436662 0.80 MAOB (0.56) MAOBMAOACTSVCTSLALDH1A1
SCHEMBL2081746 0.79 MAPT (0.71) MAOBMAPTMEN1KMT2ACTSV
SCHEMBL227098 0.79 MAPT (0.71) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL8866375 0.78 KMT2A (0.50) MAOBMAPTMEN1KMT2AALDH1A1

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 4435/4885MAPT 4479/4885

“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.