SCHEMBL30355476

SCHEMBL30355476

COc1ccccc1-c1noc(-c2ccc3[nH]ncc3c2)n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.67
ALDH1A1 P00352 3/20 0.66
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
NPC1 O15118 2/20 0.66
KDM4E B2RXH2 2/20 0.66
TSHR P16473 2/20 0.66
HSD17B10 Q99714 2/20 0.66
HPGD P15428 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
S1PR1 P21453 7/20 0.64
TP53 P04637 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
POLB P06746 1/20 0.57
TRPA1 O75762 1/20 0.54

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
SCHEMBL23523849 1.00 MAOB (0.67) MAOBALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL23523827 0.82 SMN1; SMN2 (0.67) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL30355578 0.82 SMN1; SMN2 (0.67) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL30355443 0.78 SMN1; SMN2 (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL23524201 0.78 SMN1; SMN2 (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2414042 0.78 S1PR1 (1.00) MAOBS1PR1TRPA1
SCHEMBL2421742 0.77 S1PR1 (1.00) MAOBSMN1; SMN2NPC1S1PR1
SCHEMBL2772770 0.77 S1PR1 (0.93) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL20968182 0.76 MAOB (0.60) MAOBALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2771674 0.76 S1PR1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E

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 MAOB 3653/4885ALDH1A1 2583/4885RAB9A 3056/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 MAOB 2715/4885ALDH1A1 1143/4885RAB9A 2056/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MAOB 3653/4885ALDH1A1 2583/4885RAB9A 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.