SCHEMBL25865264

SCHEMBL25865264

CC(C)CN(N=O)c1ccc(-c2nc3c(Cl)cccc3o2)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADA P00813 1/20 0.35
RORC P51449 3/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 2/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 2/20 0.32
ALOX12 P18054 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
UTRN P46939 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
SCHEMBL25865249 0.87 NPC1 (0.36) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL25865260 0.76 APP (0.44) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL25857106 0.74 RAB9A (0.41) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL25865293 0.73 NPC1 (0.36) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL25857072 0.73 RAB9A (0.44) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL27937347 0.65 NPC1 (0.48) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL30842473 0.65 NPC1 (0.50) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL23523729 0.65 GRM2 (0.39) RAB9ANPC1ALDH1A1ADAHSD17B10
SCHEMBL31154233 0.65 NPC1 (0.49) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28853377 0.64 SMN1; SMN2 (0.50) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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 3056/4885NPC1 301/4885ALDH1A1 2583/4885

“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.