SCHEMBL25857103

SCHEMBL25857103

COc1ccc2oc(-c3ccc(NCC(C)C)c(N)c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
THRB P10828 2/20 0.46
ALDH1A1 P00352 6/20 0.46
TP53 P04637 5/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL25857105 0.92 APP (0.50) MAPTALDH1A1TP53RAB9AHPGD
SCHEMBL23558187 0.88 MAPT (0.48) MAPTTHRBALDH1A1TP53RAB9A
SCHEMBL25857069 0.86 ALDH1A1 (0.48) MAPTTHRBALDH1A1TP53RAB9A
SCHEMBL23558405 0.86 ALDH1A1 (0.54) MAPTTHRBALDH1A1TP53RAB9A
SCHEMBL25857180 0.78 KDM6B (0.40) MAPTALDH1A1TP53RAB9AHPGD
SCHEMBL6681881 0.78 ALOX5 (0.59) MAPTTHRBALDH1A1TP53RAB9A
SCHEMBL2248814 0.78 NPC1 (0.57) MAPTTHRBALDH1A1TP53RAB9A
SCHEMBL25857101 0.78 NPC1 (0.40) MAPTALDH1A1TP53RAB9AHPGD
SCHEMBL25857070 0.77 APP (0.53) MAPTALDH1A1TP53RAB9AHPGD
SCHEMBL23558402 0.76 APP (0.48) MAPTALDH1A1TP53RAB9AHPGD

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 MAPT 3799/4885THRB 1437/4885ALDH1A1 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.