SCHEMBL25864161

SCHEMBL25864161

COc1ccccc1-c1noc(-c2ccc(CC(C)C)c(/N=N\O)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.62
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 4/20 0.56
HSD17B10 Q99714 4/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 3/20 0.56
TSHR P16473 2/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RXFP1 Q9HBX9 2/20 0.48
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL2813593 0.78 S1PR1 (1.00) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1
SCHEMBL2772770 0.70 S1PR1 (0.93) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1
SCHEMBL2771674 0.69 S1PR1 (1.00) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1
SCHEMBL23523827 0.69 SMN1; SMN2 (0.67) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1
SCHEMBL30355578 0.69 SMN1; SMN2 (0.67) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1
SCHEMBL23524075 0.69 SMN1; SMN2 (0.63) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1
SCHEMBL30355428 0.69 SMN1; SMN2 (0.63) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1
SCHEMBL2775237 0.69 S1PR1 (0.88) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1
SCHEMBL23523849 0.68 MAOB (0.67) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1
SCHEMBL30355476 0.68 MAOB (0.67) S1PR1SMN1; SMN2RAB9AHSD17B10ALDH1A1

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885SMN1; SMN2 1320/4885RAB9A 3056/4885

“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.