SCHEMBL30355682

SCHEMBL30355682

COc1ccc(-c2noc(-c3ccc4c(c3)nnn4C(C)C)n2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
HSD17B10 Q99714 6/20 0.48
ALDH1A1 P00352 6/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
S1PR1 P21453 9/20 0.45
S1PR3 Q99500 1/20 0.43
TP53 P04637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL23524321 1.00 TSHR (0.48) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL29673275 0.89 SMN1; SMN2 (0.60) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL20587451 0.89 SMN1; SMN2 (0.60) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL23523806 0.86 SMN1; SMN2 (0.55) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL23524303 0.85 NPC1 (0.45) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL23524407 0.83 SMN1; SMN2 (0.55) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL30355396 0.83 SMN1; SMN2 (0.55) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL27100928 0.83 ALDH1A1 (0.48) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL23524335 0.82 POLB (0.44) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL23524121 0.82 POLB (0.44) TSHRHSD17B10ALDH1A1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 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 (3 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 TSHR 970/4885HSD17B10 3702/4885ALDH1A1 2583/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 TSHR 1621/4885HSD17B10 1746/4885ALDH1A1 1143/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 TSHR 970/4885HSD17B10 3702/4885ALDH1A1 2583/4885

“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.