SCHEMBL24435101

SCHEMBL24435101

COc1cccc(CCc2csc(NC(=O)c3cccn3Cc3ccncc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.49
CYP3A4 P08684 6/20 0.49
PRKACA P17612 5/20 0.49
ROCK2 O75116 4/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.45
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR3C2 P08235 1/20 0.41

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
SCHEMBL24434822 0.91 MAPT (0.48) ROCK1ROCK2ALDH1A1MAPTTHRB
SCHEMBL24434607 0.88 KDM4E (0.47) ROCK1ROCK2MAPTRAB9AHTT
SCHEMBL24435120 0.87 AOC3 (0.45) ALDH1A1MAPK1RAB9AHTTNPC1
SCHEMBL24434861 0.86 AOC3 (0.48) ROCK1PRKACAROCK2ALDH1A1MAPK1
SCHEMBL24435128 0.84 ROCK2 (0.43) ROCK1ROCK2ALDH1A1MAPTRAB9A
SCHEMBL24435332 0.84 RXFP1 (0.47) ROCK1ROCK2ALDH1A1MAPK1RAB9A
SCHEMBL24434604 0.83 SCN3A (0.49) ROCK1ROCK2
SCHEMBL24434622 0.83 SMN1; SMN2 (0.43) ALDH1A1MAPTMAPK1RAB9AHTT
SCHEMBL24434817 0.83 SCD (0.47) ALDH1A1MAPTMAPK1RAB9AHTT
SCHEMBL31466389 0.82 ALDH1A1 (0.46) ROCK1CYP3A4PRKACAROCK2ALDH1A1

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 2147/4885CYP3A4 3223/4885PRKACA 1772/4885

“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.