SCHEMBL24435120

SCHEMBL24435120

O=C(Nc1nc(CCc2ccncc2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 8/20 0.45
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
SCN3A Q9NY46 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
CNR2 P34972 2/20 0.41
MAOB P27338 1/20 0.41
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 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
SCHEMBL24434861 0.97 AOC3 (0.48) AOC3NPC1POLBHPGDRAB9A
SCHEMBL24434604 0.95 SCN3A (0.49) AOC3SCN3ASCN5ASCN9ACNR2
SCHEMBL24434817 0.93 SCD (0.47) AOC3NPC1POLBHPGDRAB9A
SCHEMBL24435128 0.92 ROCK2 (0.43) AOC3NPC1POLBHPGDRAB9A
SCHEMBL24434822 0.92 MAPT (0.48) AOC3RAB9ASMN1; SMN2CNR2MAOB
SCHEMBL24435150 0.91 PDE5A (0.47) AOC3NPC1POLBHPGDRAB9A
SCHEMBL24434607 0.91 KDM4E (0.47) AOC3NPC1RAB9ASMN1; SMN2SCN3A
SCHEMBL24434682 0.89 SMN1; SMN2 (0.46) NPC1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL24435091 0.89 ROCK2 (0.46) AOC3NPC1POLBHPGDRAB9A
SCHEMBL24434536 0.88 SCN3A (0.48) NPC1POLBHPGDRAB9ASMN1; SMN2

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 AOC3 4061/4885NPC1 407/4885POLB 3636/4885

“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.