SCHEMBL24859286

SCHEMBL24859286

CCCC(C)(CC)c1ccc2[nH]c(C(C)(C)C)nc(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.39
▸ KIF11 P52732 5/20 0.38
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31

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
SCHEMBL24859285 0.82 KIF11 (0.50) GHSRKIF11GABRA1GABRG2GABRB3
SCHEMBL10779485 0.69 ALDH1A1 (0.44) KIF11ALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL20929776 0.66 NOS1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL26180619 0.66 SCN10A (0.38) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL8541742 0.65 GHSR (0.47) GHSRMEN1KMT2A
SCHEMBL23502466 0.65 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24413229 0.64 CHRNB2 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13896660 0.64 SCN10A (0.44) KIF11ALDH1A1SMN1; SMN2L3MBTL1SCN10A
SCHEMBL10047703 0.64 DDR1 (0.48) KIF11MEN1KMT2A
SCHEMBL23502526 0.63 ESR1 (0.33) KCNH2

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-11548885-B2 NLRX1 ligands LANDOS BIOPHARMA, INC. (US) 2023-01-10 — — 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-11548885-B2 NLRX1 ligands NLRP3, NLRP1, NOD1 GHSR 2255/4885KIF11 4349/4885GABRA1 1635/4885

“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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