SCHEMBL24435404

SCHEMBL24435404

O=C(Nc1nc(C2CCN(Cc3ccccc3)CC2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
SCN3A Q9NY46 2/20 0.43
TMIGD3 P0DMS9 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 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
SCHEMBL24434809 0.96 ROCK1 (0.49) ROCK1SIGMAR1MMP2MMP8SCN3A
SCHEMBL24435174 0.96 ROCK1 (0.49) ROCK1SIGMAR1MMP2MMP8SCN3A
SCHEMBL24434786 0.91 ADORA1 (0.47) ROCK1SCN3ATMIGD3ADORA2AADORA1
SCHEMBL24435188 0.90 TMIGD3 (0.41) ROCK1MMP2MMP8SCN3ATMIGD3
SCHEMBL24435183 0.89 ADORA1 (0.45) ROCK1SCN3ATMIGD3ADORA2AADORA1
SCHEMBL24435045 0.89 TMIGD3 (0.43) ROCK1SCN3ATMIGD3ADORA2AADORA1
SCHEMBL24434649 0.87 ROCK1 (0.40) ROCK1MMP2MMP8SCN3ATMIGD3
SCHEMBL24434863 0.87 ROCK1 (0.40) ROCK1MMP2MMP8SCN3ATMIGD3
SCHEMBL24434838 0.87 RAB9A (0.46) ROCK1SCN3ATMIGD3ADORA2AADORA1
SCHEMBL24434704 0.86 LMNA (0.44) ROCK1SCN3ATMIGD3ADORA2AADORA1

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 ROCK1 2147/4885SIGMAR1 3889/4885MMP2 2706/4885

“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.