SCHEMBL2279547

SCHEMBL2279547

CCCC[Sn](CCCC)(CCCC)c1ccnn1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMO Q99835 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
OXTR P30559 1/20 0.33
GRM2 Q14416 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ABHD16A O95870 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
SCHEMBL2278913 0.85 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL29556375 0.85 POLB (0.42) NPC1RAB9ACYP2C9CYP2C19LMNA
SCHEMBL15411723 0.82 GRM2 (0.37) TSHRGRM2
SCHEMBL1095862 0.73 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1500679 0.71 PTGS2 (0.46) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL2597489 0.71 CCNK (0.31) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL27678180 0.71 OXTR (0.44) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL15790735 0.69 ABHD16A (0.41) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL2390425 0.69 CTSK (0.34)
SCHEMBL1096789 0.68 HTR7 (0.41) LMNAHPGDTSHRPSMD14HSP90AA1

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-7998984-B2 2-pyridone derivatives for the treatment of disease or condition in which inhibition of neutrophil elastase activity is beneficial ASTRAZENECA AB (SE) 2011-08-16 US disclosed
EP-2018375-B1 2-PYRIDONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL. ASTRAZENECA AB (SE) 2010-03-03 EP disclosed
US-20090131486-A1 2-PYRIDONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL ASTRAZENECA AB (SE) 2009-05-21 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-20090131486-A1 2-PYRIDONE DERIVATIVES FOR THE TREATMENT OF DISEASE OR CONDITION IN WHICH INHIBITION OF NEUTROPHIL ELASTASE ACTIVITY IS BENEFICIAL SERPINB1, ELANE, SERPINB6 NPC1 3741/4885RAB9A 2308/4885CYP1A2 308/4885

“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.