SCHEMBL25857101

SCHEMBL25857101

COc1cccc2oc(-c3ccc(NCC(C)C)c(N)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
MAPT P10636 4/20 0.38
F2RL3 Q96RI0 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 3/20 0.36

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 0.86 NPC1 (0.42) NPC1MAPTF2RL3POLBKDM4E
SCHEMBL25857115 0.85 RAB9A (0.39) NPC1MAPTPOLBKDM4EALDH1A1
SCHEMBL25857106 0.85 RAB9A (0.41) NPC1MAPTPOLBKDM4EALDH1A1
SCHEMBL25857103 0.78 MAPT (0.46) NPC1MAPTTDP1KDM4EALDH1A1
SCHEMBL25857105 0.78 APP (0.50) NPC1MAPTPOLBKDM4EALDH1A1
SCHEMBL25865249 0.75 NPC1 (0.36) NPC1MAPTF2RL3POLBTDP1
SCHEMBL23558405 0.74 ALDH1A1 (0.54) NPC1MAPTPOLBTDP1KDM4E
SCHEMBL25857180 0.73 KDM6B (0.40) NPC1MAPTKDM4EALDH1A1HPGD
SCHEMBL25857098 0.73 NPC1 (0.43) NPC1MAPTKDM4EALDH1A1HPGD
SCHEMBL23558391 0.72 TLR7 (0.37) NPC1MAPTKDM4EALDH1A1HPGD

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 301/4885MAPT 3799/4885F2RL3 403/4885

“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.