SCHEMBL24435332

SCHEMBL24435332

COc1ccccc1CCc1csc(NC(=O)c2cccn2Cc2ccncc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
NOX1 Q9Y5S8 1/20 0.41
GAA P10253 1/20 0.40
NR3C2 P08235 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 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
SCHEMBL24435091 0.88 ROCK2 (0.46) ROCK2ROCK1LMNANPC1RAB9A
SCHEMBL24435120 0.86 AOC3 (0.45) LMNANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL24434822 0.86 MAPT (0.48) RXFP1ROCK2ROCK1LMNARAB9A
SCHEMBL24434861 0.85 AOC3 (0.48) ROCK2ROCK1LMNANPC1RAB9A
SCHEMBL24435101 0.84 ROCK1 (0.49) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL24435150 0.84 PDE5A (0.47) ROCK2ROCK1LMNANPC1RAB9A
SCHEMBL24434622 0.84 SMN1; SMN2 (0.43) LMNANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL24434817 0.83 SCD (0.47) LMNANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL24434682 0.82 SMN1; SMN2 (0.46) LMNANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL24434604 0.82 SCN3A (0.49) ROCK2ROCK1CNR2SCN3ACNR1

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 RXFP1 2740/4885ROCK2 3100/4885ROCK1 2147/4885

“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.