SCHEMBL23558402

SCHEMBL23558402

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
TP53 P04637 6/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.39
CASP3 P42574 1/20 0.39
MAPT P10636 7/20 0.39
POLB P06746 1/20 0.38
UTRN P46939 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37

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 0.85 APP (0.50) APPTP53HDAC6NPC1RAB9A
SCHEMBL23558322 0.76 CETP (0.40) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25857103 0.76 MAPT (0.46) TP53HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL23558383 0.76 CEPT1 (0.39) TP53SMN1; SMN2LMNAMAPTPOLB
SCHEMBL23558187 0.76 MAPT (0.48) TP53HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL23558207 0.75 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL25857070 0.72 APP (0.53) APPTP53HDAC6NPC1RAB9A
SCHEMBL16815250 0.69 TSHR (0.60) APPTP53HDAC6NPC1RAB9A
SCHEMBL11835372 0.69 TP53 (0.63) APPTP53HDAC6NPC1RAB9A
SCHEMBL3200802 0.68 APP (0.69) APPTP53HDAC6NPC1RAB9A

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 3 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
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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 (2 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
US-20210188826-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.