SCHEMBL22304342

SCHEMBL22304342

Cc1cnc2ccc(Cl)cc2c1N

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
ACHE P22303 6/20 0.47
BCHE P06276 4/20 0.47
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
MAP4K4 O95819 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAP3K14 Q99558 2/20 0.43
CYP3A4 P08684 2/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PARP1 P09874 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
SCHEMBL18658904 0.81 NR4A2 (0.59) NR4A2ACHEBCHEGRIN1GRIN2A
SCHEMBL439464 0.81 NR4A2 (0.55) NR4A2ACHEBCHEGRIN1GRIN2A
SCHEMBL30155016 0.81 NR4A2 (0.59) NR4A2ACHEBCHEGRIN1GRIN2A
SCHEMBL437551 0.79 NR4A2 (0.51) NR4A2ACHEBCHEGRIN1GRIN2A
SCHEMBL27916573 0.75 MAP4K4 (0.52) NR4A2ACHEBCHEGRIN1GRIN2A
SCHEMBL2519868 0.74 ALDH1A1 (0.54) NR4A2ALDH1A1MAP3K14CYP3A4
SCHEMBL17278415 0.73 ALDH1A1 (0.41) NR4A2MAP4K4ALDH1A1CYP3A4NPFFR1
SCHEMBL440411 0.73 HAVCR2 (0.52) NR4A2ACHEBCHEGRIN1GRIN2A
SCHEMBL2519637 0.73 KDM4E (0.50) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL28458986 0.73 NR4A2 (0.58) NR4A2ACHEBCHEGRIN1GRIN2A

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-20200246345-A1 ALDEHYDE CONJUGATES AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2020-08-06 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-20200246345-A1 ALDEHYDE CONJUGATES AND USES THEREOF ALDH1A2, AOX1, ALDH2 NR4A2 3506/4885ACHE 607/4885BCHE 237/4885

“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.