SCHEMBL30355404

SCHEMBL30355404

CC(C)n1nnc2cc(-c3noc(-c4ccccc4Br)n3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.53
RAB9A P51151 9/20 0.53
NPC1 O15118 9/20 0.53
TP53 P04637 8/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 5/20 0.51
GRM5 P41594 1/20 0.43
HPGD P15428 3/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.40
HSD17B10 Q99714 5/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39

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
SCHEMBL23524221 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1TP53L3MBTL1
SCHEMBL30355704 0.92 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1TP53L3MBTL1
SCHEMBL23523886 0.92 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1TP53L3MBTL1
SCHEMBL29673234 0.92 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1TP53L3MBTL1
SCHEMBL25306770 0.88 RAB9A (0.48) SMN1; SMN2RAB9ANPC1TP53L3MBTL1
SCHEMBL25867888 0.88 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1TP53L3MBTL1
SCHEMBL23523805 0.88 NPC1 (0.46) SMN1; SMN2RAB9ANPC1TP53L3MBTL1
SCHEMBL30355457 0.87 NPC1 (0.53) SMN1; SMN2RAB9ANPC1TP53L3MBTL1
SCHEMBL23523971 0.87 BCHE (0.43) SMN1; SMN2RAB9ANPC1TP53L3MBTL1
SCHEMBL23524092 0.87 NPC1 (0.53) SMN1; SMN2RAB9ANPC1TP53L3MBTL1

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 3056/4885NPC1 301/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 619/4885RAB9A 2056/4885NPC1 311/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885RAB9A 3056/4885NPC1 301/4885

“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.