SCHEMBL25865249

SCHEMBL25865249

COc1cccc2oc(-c3ccc(N(CC(C)C)N=O)c(N)c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
UTRN P46939 1/20 0.35
MAPT P10636 4/20 0.35
F2RL3 Q96RI0 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
P2RY14 Q15391 1/20 0.34
CEPT1 Q9Y6K0 1/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL25865264 0.87 RAB9A (0.38) NPC1UTRNMAPTPOLBUSP2
SCHEMBL25865260 0.80 APP (0.44) NPC1UTRNMAPTRAB9ATP53
SCHEMBL25857101 0.75 NPC1 (0.40) NPC1UTRNMAPTF2RL3POLB
SCHEMBL25865293 0.72 NPC1 (0.36) NPC1MAPTPOLBUSP2HSD17B10
SCHEMBL22439105 0.67 TOP2A (0.53) NPC1UTRNMAPTF2RL3POLB
SCHEMBL20587547 0.66 NPC1 (0.41) NPC1UTRNMAPTF2RL3POLB
SCHEMBL31154071 0.66 NPC1 (0.50) NPC1MAPTF2RL3TDP1HSD17B10
SCHEMBL25865096 0.65 MAPT (0.44) NPC1UTRNMAPTTDP1HSD17B10
SCHEMBL23524268 0.64 NPC1 (0.43) NPC1UTRNMAPTF2RL3POLB
SCHEMBL6664560 0.63 CYP1A2 (0.41) NPC1UTRNMEN1KMT2ACYP1A2

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 301/4885UTRN 1637/4885MAPT 3799/4885

“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.