SCHEMBL25394643

SCHEMBL25394643

O=C(O)c1cccn1CCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
TBXAS1 P24557 9/20 0.49
NAPRT Q6XQN6 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CNR2 P34972 1/20 0.45
CHRNA7 P36544 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL28681481 0.92 HDAC3 (0.55) TSHRMAPK1TBXAS1NAPRTHDAC3
SCHEMBL20893846 0.85 TSHR (0.51) TSHRMAPK1TBXAS1NAPRTHDAC3
SCHEMBL25394077 0.84 HDAC3 (0.47) TSHRMAPK1TBXAS1HDAC3HDAC4
SCHEMBL28677395 0.84 FLT1 (0.42) TBXAS1CNR2KDM4ECYP1A2CYP3A4
SCHEMBL9023262 0.83 NPC1 (0.49) CNR2
SCHEMBL28677294 0.77 HDAC3 (0.56) TSHRMAPK1TBXAS1HDAC3HDAC4
SCHEMBL27680360 0.76 CA12 (0.49) CNR2KDM4E
SCHEMBL24435000 0.75 TBXAS1 (0.45) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20916882 0.75 NPC1 (0.51) TSHRKDM4E
SCHEMBL27680364 0.75 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20230286973-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2023-09-14 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-20230286973-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G TSHR 2746/4885MAPK1 527/4885TBXAS1 1806/4885

“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.