SCHEMBL13596044

SCHEMBL13596044

NNC(=O)c1ccc(Sc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
ALDH1A1 P00352 6/20 0.65
NPC1 O15118 4/20 0.58
SPHK2 Q9NRA0 3/20 0.57
SPHK1 Q9NYA1 1/20 0.55
SMPD1 P17405 1/20 0.54
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NR4A2 P43354 1/20 0.52
MAOB P27338 1/20 0.50
SRD5A2 P31213 1/20 0.50
S1PR1 P21453 1/20 0.49
TP53 P04637 1/20 0.49
PTPN1 P18031 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NR1H4 Q96RI1 2/20 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
SCHEMBL13596041 0.85 MAOB (0.67) ALDH1A1SMN1; SMN2NR4A2MAOBSRD5A2
SCHEMBL3828084 0.84 NPC1 (0.55) MAPTALDH1A1NPC1SPHK2SPHK1
SCHEMBL13596039 0.83 NR4A2 (0.52) ALDH1A1SPHK2SPHK1SMPD1SMN1; SMN2
SCHEMBL3829972 0.82 ALDH1A1 (0.51) MAPTALDH1A1NPC1SPHK2SPHK1
SCHEMBL7410475 0.82 SMPD1 (0.78) MAPTALDH1A1NPC1SMPD1RAB9A
SCHEMBL13596118 0.80 MAOB (0.62) MAPTRAB9ASMN1; SMN2NR4A2MAOB
SCHEMBL863916 0.80 ALDH1A1 (0.88) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1563616 0.79 NR4A2 (0.50) ALDH1A1SPHK2SPHK1SMPD1SMN1; SMN2
SCHEMBL13596052 0.78 SMPD1 (0.50) NPC1SMPD1RAB9ASMN1; SMN2NR4A2
SCHEMBL1564073 0.76 FFAR1 (0.56) SPHK2SPHK1SMPD1SMN1; SMN2NR4A2

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 MAPT 4479/4885ALDH1A1 2888/4885NPC1 1484/4885

“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.