SCHEMBL25857115

SCHEMBL25857115

CC(C)CNc1ccc(-c2nc3c(Br)cccc3o2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 6/20 0.38
HPGD P15428 6/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 5/20 0.37
TP53 P04637 2/20 0.37
ALOX12 P18054 1/20 0.37
HAVCR2 Q8TDQ0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL25857096 0.88 NPC1 (0.42) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL25857106 0.87 RAB9A (0.41) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL25857074 0.85 RAB9A (0.41) RAB9ASMN1; SMN2HIF1ANPC1HPGD
SCHEMBL25857101 0.85 NPC1 (0.40) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL23558207 0.84 ALDH1A1 (0.34) RAB9ASMN1; SMN2HIF1ANPC1HPGD
SCHEMBL23558391 0.83 TLR7 (0.37) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL25865293 0.77 NPC1 (0.36) RAB9ASMN1; SMN2HIF1ANPC1HPGD
SCHEMBL23558405 0.76 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL25857098 0.75 NPC1 (0.43) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL25857180 0.75 KDM6B (0.40) RAB9ASMN1; SMN2NPC1HPGDALDH1A1

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 RAB9A 3056/4885SMN1; SMN2 1320/4885HIF1A 2226/4885

“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.