SCHEMBL30355396

SCHEMBL30355396

COc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C(C)C)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 13/20 0.55
RAB9A P51151 12/20 0.55
TP53 P04637 12/20 0.55
NPC1 O15118 11/20 0.55
ALDH1A1 P00352 10/20 0.55
HSD17B10 Q99714 9/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
HPGD P15428 4/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
GAA P10253 2/20 0.52
KDM4E B2RXH2 8/20 0.51
TSHR P16473 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
S1PR1 P21453 2/20 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
SCHEMBL23524407 1.00 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL29673275 0.92 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL20587451 0.92 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL30355564 0.88 S1PR1 (0.49) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL23523963 0.88 S1PR1 (0.49) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL23523887 0.87 S1PR1 (0.47) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL23523901 0.87 S1PR1 (0.47) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL30355687 0.87 S1PR1 (0.47) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL23523806 0.86 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL23523805 0.86 NPC1 (0.46) SMN1; SMN2RAB9ATP53NPC1ALDH1A1

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 SMN1; SMN2 1320/4885RAB9A 3056/4885TP53 4030/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 619/4885RAB9A 2056/4885TP53 4852/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885RAB9A 3056/4885TP53 4030/4885

“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.