SCHEMBL30147862

SCHEMBL30147862

CNc1cc(C(C)C)c(N)c(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 13/20 0.41
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32

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
SCHEMBL21625512 0.75 NOS3 (0.35) NOS3NOS2P2RX3P2RX2
SCHEMBL28527776 0.73 NOS3 (0.31) NOS3NOS2
SCHEMBL20698992 0.73 P2RX3 (0.31) NOS3NOS2P2RX3P2RX2
SCHEMBL23234577 0.73 GABRA1 (0.33) NOS3NOS2P2RX3P2RX2
SCHEMBL9777725 0.73 LMNA (0.41) NOS3NOS2P2RX3P2RX2
SCHEMBL21637156 0.70 NOS3 (0.40) NOS3NOS2P2RX3P2RX2
SCHEMBL21625501 0.70 NPC1 (0.38) P2RX3P2RX2
SCHEMBL22014867 0.70 TDP1 (0.33) NOS3NOS2
SCHEMBL30148011 0.70 NUDT1 (0.37) NUDT1
SCHEMBL28539175 0.70

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-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-01-24 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-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 NUDT1 1805/4885NOS3 2127/4885NOS2 2770/4885

“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.