SCHEMBL20933009

SCHEMBL20933009

CCCC(C)(C)c1nc(C)cc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HMGCR P04035 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NUDT1 P36639 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
ESR1 P03372 1/20 0.31
AR P10275 1/20 0.31
ESR2 Q92731 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL22488024 0.88 CNR2 (0.37) LMNAPOLBAPOBEC3GMEN1KMT2A
SCHEMBL22487908 0.79 LMNA (0.33) LMNAPOLBAPOBEC3GMAPTESR1
SCHEMBL22747505 0.78 NOS2 (0.38) HMGCR
SCHEMBL21249361 0.75
SCHEMBL22487744 0.72 CNR2 (0.38) HTTMEN1KMT2AGAATLR8
SCHEMBL4729435 0.71 POLB (0.43) LMNAPOLBAPOBEC3GMAPTHTT
SCHEMBL18482107 0.70 APLNR (0.33)
SCHEMBL19261366 0.68 TLR8 (0.31) TLR8
SCHEMBL18643169 0.67
SCHEMBL15457952 0.67

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-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 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-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 LMNA 1347/4885POLB 4488/4885APOBEC3G 4131/4885

“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.