SCHEMBL24434841

SCHEMBL24434841

O=C(Nc1nc(C#CC2CCCCO2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 3/20 0.36
PKM P14618 1/20 0.36
ROCK1 Q13464 1/20 0.36
SCN3A Q9NY46 4/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 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
SCHEMBL24435059 0.88 HPGD (0.39) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL24435097 0.86 POLB (0.38) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL24434748 0.85 GRM5 (0.36) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL24435093 0.82 ROCK1 (0.42) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL24434826 0.82 NPC1 (0.41) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL25394191 0.81 ROCK1 (0.42) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL24434840 0.81 GRM5 (0.45) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL24435343 0.81 NPC1 (0.38) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL24434761 0.79 GRM5 (0.46) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL31466304 0.79 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9APOLBHPGD

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 SMN1; SMN2 4057/4885NPC1 407/4885RAB9A 222/4885

“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.