SCHEMBL25857074

SCHEMBL25857074

CC(C)Nc1ccc(-c2nc3c(Br)cccc3o2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 9/20 0.40
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 4/20 0.39
TP53 P04637 3/20 0.39
ALOX12 P18054 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 2/20 0.34

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
SCHEMBL23558137 0.87 NPC1 (0.44) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL25857072 0.86 RAB9A (0.44) RAB9ASMN1; SMN2HIF1ANPC1MAPT
SCHEMBL25857115 0.85 RAB9A (0.39) RAB9ASMN1; SMN2HIF1ANPC1MAPT
SCHEMBL2688443 0.81 NPC1 (0.54) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL25865293 0.76 NPC1 (0.36) RAB9ASMN1; SMN2HIF1ANPC1MAPT
SCHEMBL25857110 0.76 NPC1 (0.33) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL25857084 0.74 HPGD (0.45) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL25857063 0.74 NPC1 (0.56) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL25857064 0.73 NPC1 (0.45) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL25857096 0.73 NPC1 (0.42) RAB9ASMN1; SMN2NPC1MAPTKDM4E

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 2 patents. 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
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.