SCHEMBL30364115

SCHEMBL30364115

CCc1cnnc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
SMYD3 Q9H7B4 4/20 0.40
LMNA P02545 1/20 0.34
NNMT P40261 1/20 0.34
SIRT6 Q8N6T7 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SCD O00767 1/20 0.33
LCK P06239 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 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
SCHEMBL28169264 1.00 PARP1 (0.42) PARP1SMYD3LMNANNMTSIRT6
Trifluoroacetic Acid SCHEMBL29779536 0.89 PARP1 (0.36) PARP1SMYD3KMT2A
SCHEMBL11662104 0.85 HCAR2 (0.43) PARP1SMYD3LMNATSHRMEN1
SCHEMBL17591930 0.80 MAPK1 (0.40) SMYD3LCKGABRPGABRDGABRA1
SCHEMBL3415008 0.75 PARP1 (0.38) PARP1LMNANNMTSIRT6ADORA3
SCHEMBL10174710 0.74 NPC1 (0.42) SMYD3TSHRKMT2AGAAMAPT
SCHEMBL31226700 0.72 LMNA (0.39) LMNANNMTSIRT6ADORA3TSHR
SCHEMBL164974 0.72 LMNA (0.39) LMNANNMTSIRT6ADORA3TSHR
SCHEMBL23015831 0.71 PARP1 (0.35) PARP1SMYD3
SCHEMBL2677778 0.70 SMYD3 (0.54) PARP1SMYD3ADORA3TSHRMC4R

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-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 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-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 PARP1 4594/4885SMYD3 1/4885LMNA 4448/4885

“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.