SCHEMBL25857105

SCHEMBL25857105

COc1ccc2nc(-c3ccc(NCC(C)C)c(N)c3)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.50
TP53 P04637 5/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.41
CASP3 P42574 1/20 0.41
MAPT P10636 7/20 0.41
GPR119 Q8TDV5 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
UTRN P46939 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL25857103 0.92 MAPT (0.46) TP53HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL25857070 0.86 APP (0.53) APPTP53HDAC6NPC1RAB9A
SCHEMBL23558402 0.85 APP (0.48) APPTP53HDAC6NPC1RAB9A
SCHEMBL25857180 0.81 KDM6B (0.40) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23558187 0.80 MAPT (0.48) TP53HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL23558405 0.79 ALDH1A1 (0.54) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25857101 0.78 NPC1 (0.40) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25857069 0.77 ALDH1A1 (0.48) TP53HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL25865260 0.75 APP (0.44) APPTP53HDAC6NPC1RAB9A
SCHEMBL10219881 0.75 BCHE (0.52) TP53NPC1RAB9ASMN1; SMN2LMNA

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 857/4885TP53 4030/4885HDAC6 2041/4885

“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.