SCHEMBL22014867

SCHEMBL22014867

CC(C)c1cc(C(F)F)nc(C(C)C)c1N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL22014868 0.81 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL20698992 0.77 P2RX3 (0.31) NOS3NOS1NOS2
SCHEMBL21625512 0.75 NOS3 (0.35) TDP1NOS3NOS1NOS2
SCHEMBL23234577 0.73 GABRA1 (0.33) NOS3NOS1NOS2
SCHEMBL28527776 0.73 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL9777725 0.73 LMNA (0.41) NOS3NOS1NOS2
SCHEMBL21625507 0.73 HSP90AA1 (0.42) ADORA2AADORA1
SCHEMBL21625501 0.70 NPC1 (0.38)
SCHEMBL21637156 0.70 NOS3 (0.40) NOS3NOS1NOS2
SCHEMBL30147862 0.70 NUDT1 (0.41) NOS3NOS2

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
WO-2020102574-A1 THE 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 (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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 TDP1 1580/4885L3MBTL1 4814/4885ADORA2A 543/4885

“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.