SCHEMBL25847433

SCHEMBL25847433

CCNS(=O)(=O)c1cc(CC)ccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ NR2F2 P24468 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL13180198 0.79 NOS3 (0.50) NOS3NOS1NOS2PKMALDH1A1
SCHEMBL21422570 0.77 NOS3 (0.53) NOS3NOS1NOS2PKMALDH1A1
SCHEMBL8431657 0.77 NOS3 (0.48) NOS3NOS1NOS2PKMALDH1A1
SCHEMBL31527882 0.76 NOS3 (0.52) NOS3NOS1NOS2PKMKDM4E
SCHEMBL18881310 0.74 L3MBTL1 (0.65) PKMALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL25847430 0.70 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2CYP2C9
SCHEMBL4637636 0.70 LOXL2 (0.45) LMNAHTTSMN1; SMN2NR2F2
SCHEMBL13181463 0.69 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2CYP2C9BRD4
SCHEMBL26078700 0.69 NOS3 (0.40) NOS3NOS1NOS2PKMKDM4E
SCHEMBL25847426 0.68 KDM4E (0.51) NOS3NOS1NOS2PKMALDH1A1

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 — — 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NOS3 817/4885NOS1 3333/4885NOS2 3467/4885

“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.

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