SCHEMBL30162391

SCHEMBL30162391

Nc1c2c(nc(C(F)(F)F)c1C(F)(F)F)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
BPTF Q12830 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 9/20 0.40
GRIN1 Q05586 8/20 0.40
GRIN2A Q12879 8/20 0.40
KDM4E B2RXH2 1/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
ABCC4 O15439 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 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
SCHEMBL21963214 1.00 ACHE (0.52) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL30162576 0.81 ACHE (0.50) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22010514 0.81 ACHE (0.50) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963204 0.81 ACHE (0.50) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963338 0.81 ACHE (0.50) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL31475621 0.81 ACHE (0.50) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963219 0.81 ACHE (0.50) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963150 0.80 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL24978338 0.77 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22019979 0.77 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF

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
CN-113166065-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2025-04-15 CN disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ACHE 4177/4885MEN1 3390/4885MAPK1 1647/4885

“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.