SCHEMBL25865293

SCHEMBL25865293

CC(C)CN(C)c1ccc(-c2nc3c(Br)cccc3o2)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.36
RAB9A P51151 12/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
HPGD P15428 6/20 0.36
HSD17B10 Q99714 5/20 0.36
TP53 P04637 4/20 0.36
ALOX12 P18054 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 8/20 0.35
MEN1 O00255 6/20 0.35
MAPT P10636 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 2/20 0.32
POLB P06746 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL25857115 0.77 RAB9A (0.39) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL25857074 0.76 RAB9A (0.41) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL25865264 0.73 RAB9A (0.38) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL25865249 0.72 NPC1 (0.36) NPC1RAB9AHPGDHSD17B10TP53
SCHEMBL23387540 0.68 RAB9A (0.46) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL31154363 0.68 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL25857096 0.67 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL23524120 0.67 GRM2 (0.52) NPC1RAB9AHSD17B10ALDH1A1KDM4E
SCHEMBL23558207 0.67 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL22085386 0.66 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2HPGDHSD17B10

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 NPC1 301/4885RAB9A 3056/4885SMN1; SMN2 1320/4885

“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.