SCHEMBL25857070

SCHEMBL25857070

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
TP53 P04637 5/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.43
CASP3 P42574 1/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 2/20 0.42
GPR119 Q8TDV5 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL25857069 0.91 ALDH1A1 (0.48) TP53HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL25857105 0.86 APP (0.50) APPTP53HDAC6NPC1RAB9A
SCHEMBL25857063 0.85 NPC1 (0.56) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25857084 0.82 HPGD (0.45) APPTP53NPC1RAB9ASMN1; SMN2
SCHEMBL2688443 0.82 NPC1 (0.54) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27100102 0.79 MAPT (0.48) TP53HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL25857197 0.79 NPC1 (0.44) TP53NPC1SMN1; SMN2MAPTKDM4E
SCHEMBL25857103 0.77 MAPT (0.46) TP53HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL15692244 0.74 TP53 (0.54) APPTP53HDAC6NPC1RAB9A
SCHEMBL10219505 0.74 PTPN2 (0.56) TP53NPC1RAB9ALMNAMAPT

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 2 patents. 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
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.