SCHEMBL10101774

SCHEMBL10101774

C/C(=N\OCc1ccc(C)cc1)c1cc(O)c(C)cc1-c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
S1PR1 P21453 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAOA P21397 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.31
AGXT P21549 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
PDE10A Q9Y233 1/20 0.31
LMNA P02545 2/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL10101769 0.94 S1PR1 (0.42) BACE1S1PR1L3MBTL1MAPTPOLB
SCHEMBL10101760 0.89 L3MBTL1 (0.42) BACE1S1PR1L3MBTL1MAPTPOLB
SCHEMBL10101765 0.89 CA12 (0.44) BACE1S1PR1L3MBTL1MAPTPOLB
SCHEMBL10101753 0.88 MAPK1 (0.41) S1PR1L3MBTL1MAPTPOLBGAA
SCHEMBL10101757 0.88 S1PR1 (0.41) BACE1S1PR1L3MBTL1MAPTPOLB
SCHEMBL10102158 0.87 SMN1; SMN2 (0.41) S1PR1L3MBTL1MAPTGAASMN1; SMN2
SCHEMBL10101773 0.86 S1PR1 (0.43) S1PR1L3MBTL1MAPTPOLBGAA
SCHEMBL10101767 0.84 S1PR1 (0.40) S1PR1L3MBTL1MAPTPOLBGAA
SCHEMBL10102149 0.84 SMN1; SMN2 (0.40) S1PR1L3MBTL1MAPTGAASMN1; SMN2
SCHEMBL10101752 0.84 POLB (0.41) S1PR1L3MBTL1MAPTPOLBGAA

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-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 BACE1 1154/4885S1PR1 909/4885L3MBTL1 4843/4885

“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.