SCHEMBL25865260

SCHEMBL25865260

COc1ccc2nc(-c3ccc(N(CC(C)C)N=O)c(N)c3)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 2/20 0.40
CASP3 P42574 1/20 0.40
GPR119 Q8TDV5 6/20 0.39
UTRN P46939 1/20 0.39
MAPT P10636 2/20 0.38
TLR7 Q9NYK1 3/20 0.38

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 0.80 NPC1 (0.36) NPC1RAB9ATP53UTRNMAPT
SCHEMBL25865096 0.77 MAPT (0.44) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL25865264 0.76 RAB9A (0.38) NPC1RAB9ASMN1; SMN2TP53UTRN
SCHEMBL25857105 0.75 APP (0.50) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL25857070 0.73 APP (0.53) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3188032 0.69 APP (0.65) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL24871280 0.68 TP53 (0.59) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL11835372 0.68 TP53 (0.63) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3187032 0.68 APP (0.70) APPNPC1RAB9ASMN1; SMN2TP53
SCHEMBL25857103 0.67 MAPT (0.46) NPC1RAB9ASMN1; SMN2TP53HDAC6

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 APP 857/4885NPC1 301/4885RAB9A 3056/4885

“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.