SCHEMBL25085501

SCHEMBL25085501

CC(C)c1c2c(nc3c1CCC3)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 1/20 0.52
BPTF Q12830 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPT P10636 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CACNA2D1 P54289 3/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL22170105 0.98 ACHE (0.48) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL22170104 0.98 ACHE (0.50) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24872177 0.93 ACHE (0.45) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL22021004 0.82 NPSR1 (0.37) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL25085444 0.82 NPSR1 (0.37) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL22019777 0.81 KDM4E (0.41) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24977975 0.77 EEF2K (0.34) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24978209 0.77 HRH3 (0.36) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL24872239 0.77 NLRP3 (0.35) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL22020547 0.77 NPSR1 (0.36) ACHEMEN1KMT2AMAPK1BPTF

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-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 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-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ACHE 4656/4885MEN1 2868/4885KMT2A 2653/4885

“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.