SCHEMBL24435112

SCHEMBL24435112

O=C(Nc1nc(C#Cc2ccccn2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCN3A Q9NY46 4/20 0.43
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
CNR2 P34972 3/20 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
SCHEMBL24434761 0.90 GRM5 (0.46) NPC1POLBHPGDRAB9AKDM4E
SCHEMBL24434840 0.89 GRM5 (0.45) NPC1POLBHPGDRAB9AKDM4E
SCHEMBL24434572 0.88 SCN3A (0.41) NPC1POLBHPGDRAB9AKDM4E
SCHEMBL24434594 0.86 SCN3A (0.45) NPC1POLBHPGDRAB9AKDM4E
SCHEMBL24936699 0.85 POLB (0.42) NPC1POLBHPGDRAB9AKDM4E
SCHEMBL24434813 0.85 GRM5 (0.58) NPC1POLBHPGDRAB9AMEN1
SCHEMBL24434583 0.84 ALK (0.44) NPC1POLBHPGDRAB9AKDM4E
SCHEMBL24435096 0.84 GRM5 (0.43) KDM4ESCN3ASCN5ASCN9ACNR2
SCHEMBL24936715 0.83 KDM4E (0.66) NPC1POLBHPGDRAB9AKDM4E
SCHEMBL30152048 0.83 KDM4E (0.66) NPC1POLBHPGDRAB9AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286973-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2023-09-14 US disclosed
US-20230286973-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2023-09-14 US disclosed
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 (2 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 NPC1 407/4885POLB 3636/4885HPGD 2543/4885
US-20230286973-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G NPC1 369/4885POLB 3515/4885HPGD 1921/4885

“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.