SCHEMBL16869441

SCHEMBL16869441

CC(C)CCCc1cn[nH]c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.45
HRH2 P25021 1/20 0.38
AKT2 P31751 1/20 0.38
KCNH2 Q12809 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
ACACB O00763 1/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
FUT7 Q11130 1/20 0.33
MAPK1 P28482 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL13138903 0.88 NOS2 (0.47) NOS2HRH2AKT2KCNH2ACACB
SCHEMBL24866428 0.79 AKT2 (0.44) NOS2HRH2AKT2KCNH2LMNA
SCHEMBL21263656 0.76 NOS2 (0.44) NOS2AKT2KCNH2ACACBLMNA
SCHEMBL458851 0.76 TDP1 (0.44) NOS2AKT2LMNA
SCHEMBL22102496 0.76 NOS2 (0.44) NOS2HRH2AKT2KCNH2ACACB
SCHEMBL5960562 0.75
SCHEMBL20539012 0.74 PTGS2 (0.47) LMNA
SCHEMBL2541661 0.74 PTGS2 (0.47) LMNA
SCHEMBL28089816 0.74 NOS2 (0.39) NOS2HRH2AKT2KCNH2ACACB
SCHEMBL26999527 0.74 PTGS2 (0.47) LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208032-B2 Benzamide and nicotinamide compounds and methods of using same ONCOTARTIS INC. (US) 2019-02-19 US disclosed
US-20190031658-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC. 2019-01-31 US disclosed
WO-2015100322-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS, INC. (US) 2015-07-02 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 (2 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-10208032-B2 Benzamide and nicotinamide compounds and methods of using same NAMPT, NNT, NADK NOS2 1956/4885HRH2 768/4885AKT2 1555/4885
US-20190031658-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME NNT, NAMPT, NNMT NOS2 1223/4885HRH2 1032/4885AKT2 2382/4885

“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.