SCHEMBL24434604

SCHEMBL24434604

O=C(Nc1nc(CCc2ccc(Cl)cc2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 4/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
AOC3 Q16853 6/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
TP53 P04637 1/20 0.41
FLT1 P17948 4/20 0.41
KDR P35968 4/20 0.41
CNR2 P34972 2/20 0.40
MAOB P27338 1/20 0.40
SCD O00767 1/20 0.40
CNR1 P21554 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL24435120 0.95 AOC3 (0.45) SCN3ASCN5ASCN9AAOC3TP53
SCHEMBL24434861 0.92 AOC3 (0.48) SCN3AAOC3ROCK2ROCK1TP53
SCHEMBL24434607 0.90 KDM4E (0.47) SCN3ASCN5ASCN9AAOC3ROCK2
SCHEMBL24434822 0.89 MAPT (0.48) AOC3ROCK2ROCK1CNR2MAOB
SCHEMBL24434817 0.88 SCD (0.47) SCN3ASCN5ASCN9AAOC3TP53
SCHEMBL24435128 0.88 ROCK2 (0.43) SCN3ASCN5ASCN9AAOC3ROCK2
SCHEMBL24435091 0.87 ROCK2 (0.46) SCN3ASCN5ASCN9AAOC3ROCK2
SCHEMBL24435150 0.86 PDE5A (0.47) SCN3ASCN5ASCN9AAOC3ROCK2
SCHEMBL24434682 0.85 SMN1; SMN2 (0.46) SCN3ASCN5ASCN9ATP53CNR2
SCHEMBL24434744 0.83 CSNK2A1 (0.47) SCN3ASCN5ASCN9ATP53CNR2

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-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 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-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G SCN3A 1699/4885SCN5A 1768/4885SCN9A 1635/4885

“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.