SCHEMBL26596995

SCHEMBL26596995

CC(C)(C)n1ccc2ccc(N)nc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.33
MCHR1 Q99705 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
BACE1 P56817 3/20 0.32
NCF1 P14598 2/20 0.32
NCK1 P16333 1/20 0.32
PLAU P00749 2/20 0.31
PIK3CB P42338 1/20 0.30

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
SCHEMBL18125590 0.77 L3MBTL1 (0.30)
SCHEMBL25465461 0.74 PDE2A (0.32)
SCHEMBL15091312 0.74 PIK3CB (0.44) NOS2MCHR1NOS3NOS1BACE1
SCHEMBL10047082 0.71 LMNA (0.35) NOS2MCHR1NOS3NOS1PI4KA
SCHEMBL20171653 0.71 NOS3 (0.34) NOS2NOS3NOS1PI4KAPI4K2B
SCHEMBL13592581 0.70 EGFR (0.34) NOS2NOS3NOS1PI4KAPI4K2B
SCHEMBL18852657 0.69 HMGCR (0.30)
SCHEMBL4076727 0.69 PARP1 (0.46)
SCHEMBL18053950 0.67 HSP90AA1 (0.43) PI4KBPIK3CB
SCHEMBL22521392 0.67 DHFR (0.37) PI4KAPI4K2BPI4K2API4KB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 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-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH NOS2 967/4885MCHR1 3969/4885NOS3 866/4885

“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.