SCHEMBL21962356

SCHEMBL21962356

Nc1c2c(c(I)c3c1CCC3)CCC2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
BPTF Q12830 1/20 0.44

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
SCHEMBL337198 0.75 ACHE (0.48) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL19475249 0.71 ACHE (0.44) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL18007707 0.71 ACHE (0.44) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL18007560 0.71 ACHE (0.44) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL18007601 0.71 ACHE (0.44) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL25198544 0.69 ACHE (0.42) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL25198553 0.69 ACHE (0.42) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL5404192 0.66 CYP3A4 (0.37) ACHEMAPK1
SCHEMBL25236247 0.65 ACHE (0.39) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL19474937 0.65 ALDH1A1 (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010772-A1 NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-01-11 WO disclosed
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20220267276-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2022-08-25 US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
EP-3817817-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ACHE 4294/4885MEN1 3277/4885MAPK1 1462/4885
US-20220267276-A1 NLRP MODULATORS NLRP1, NRP1, NR4A3 ACHE 4882/4885MEN1 4566/4885MAPK1 1451/4885

“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.