SCHEMBL25857069

SCHEMBL25857069

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TP53 P04637 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 9/20 0.46
THRB P10828 3/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL25857070 0.91 APP (0.53) ALDH1A1TP53RAB9ANPC1HSD17B10
SCHEMBL27100102 0.88 MAPT (0.48) ALDH1A1TP53RAB9ANPC1HSD17B10
SCHEMBL25857103 0.86 MAPT (0.46) ALDH1A1TP53RAB9ANPC1HSD17B10
SCHEMBL2688443 0.82 NPC1 (0.54) ALDH1A1TP53RAB9ANPC1HSD17B10
SCHEMBL6681881 0.81 ALOX5 (0.59) ALDH1A1TP53RAB9ANPC1HSD17B10
SCHEMBL2248814 0.81 NPC1 (0.57) ALDH1A1TP53RAB9ANPC1HSD17B10
SCHEMBL25857084 0.80 HPGD (0.45) ALDH1A1TP53RAB9ANPC1HSD17B10
SCHEMBL25857063 0.78 NPC1 (0.56) ALDH1A1TP53RAB9ANPC1HSD17B10
SCHEMBL18726342 0.78 RAB9A (0.69) ALDH1A1TP53RAB9ANPC1HSD17B10
SCHEMBL5226589 0.77 NPC1 (0.68) ALDH1A1TP53RAB9ANPC1HSD17B10

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 ALDH1A1 2583/4885TP53 4030/4885RAB9A 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.