SCHEMBL24434748

SCHEMBL24434748

O=C(Nc1nc(C#CC2CCCOC2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
SCN3A Q9NY46 4/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
ROCK1 Q13464 1/20 0.34
CD38 P28907 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL24435097 0.90 POLB (0.38) GRM5POLBNPC1HPGDRAB9A
SCHEMBL24435059 0.90 HPGD (0.39) GRM5POLBNPC1HPGDRAB9A
SCHEMBL24434841 0.85 SMN1; SMN2 (0.36) GRM5POLBNPC1HPGDRAB9A
SCHEMBL24434826 0.85 NPC1 (0.41) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24435343 0.83 NPC1 (0.38) GRM5POLBNPC1HPGDRAB9A
SCHEMBL24435121 0.81 SCN3A (0.36) GRM5POLBNPC1HPGDRAB9A
SCHEMBL24434840 0.80 GRM5 (0.45) GRM5POLBNPC1HPGDRAB9A
SCHEMBL24435100 0.79 HDAC3 (0.35) GRM5POLBNPC1HPGDRAB9A
SCHEMBL31466288 0.79 HDAC3 (0.35) GRM5POLBNPC1HPGDRAB9A
SCHEMBL24434761 0.79 GRM5 (0.46) GRM5POLBNPC1HPGDRAB9A

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 GRM5 4500/4885POLB 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.