SCHEMBL24859285

SCHEMBL24859285

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.50
▸ SCN10A Q9Y5Y9 2/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ GHSR Q92847 1/20 0.44
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRA4 P48169 1/20 0.43
▸ GABRA6 Q16445 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTR1D P28221 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ IDH1 O75874 1/20 0.37

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
SCHEMBL24859286 0.82 GHSR (0.39) KIF11SCN10AKCNH2GHSRGABRA1
SCHEMBL10779485 0.78 ALDH1A1 (0.44) KIF11ALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL846855 0.76 SCN10A (0.58) KIF11SCN10AKCNH2ALDH1A1SMN1; SMN2
SCHEMBL30577796 0.75 KIF11 (0.65) KIF11GHSRGABRA1GABRG2GABRB3
SCHEMBL25243502 0.75 KIF11 (0.65) KIF11GHSRGABRA1GABRG2GABRB3
SCHEMBL30577798 0.75 KIF11 (0.65) KIF11GHSRGABRA1GABRG2GABRB3
SCHEMBL29535 0.74 KIF11 (0.81) KIF11GHSRGABRA1GABRG2GABRB3
SCHEMBL29361452 0.74 KIF11 (0.81) KIF11GHSRGABRA1GABRG2GABRB3
Ammonia Solution, Strong SCHEMBL25176966 0.73 KIF11 (0.78) KIF11GHSRGABRA1GABRG2GABRB3
SCHEMBL846652 0.73 SCN10A (0.78) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1

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-20230128450-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-04-27 — — US disclosed
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 (2 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 KIF11 4349/4885SCN10A 3045/4885KCNH2 4439/4885
US-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 KIF11 4349/4885SCN10A 3045/4885KCNH2 4439/4885

“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.

Send feedback