SCHEMBL24434817

SCHEMBL24434817

O=C(Nc1nc(CCO)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.47
POLB P06746 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
SCN3A Q9NY46 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
CNR2 P34972 3/20 0.41
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 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 0.93 AOC3 (0.45) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434861 0.90 AOC3 (0.48) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434682 0.88 SMN1; SMN2 (0.46) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434604 0.88 SCN3A (0.49) SCDSCN3ASCN5ASCN9ACNR2
SCHEMBL24435150 0.88 PDE5A (0.47) SCDPOLBNPC1HPGDRAB9A
SCHEMBL24435128 0.87 ROCK2 (0.43) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434536 0.87 SCN3A (0.48) SCDPOLBNPC1HPGDRAB9A
SCHEMBL24434744 0.87 CSNK2A1 (0.47) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24435091 0.86 ROCK2 (0.46) SCDPOLBNPC1HPGDRAB9A
SCHEMBL24434622 0.86 SMN1; SMN2 (0.43) POLBNPC1HPGDRAB9ASMN1; 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 SCD 2164/4885POLB 3636/4885NPC1 407/4885

“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.