SCHEMBL13323945

SCHEMBL13323945

CC(C)n1ncc(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPBWR1 P48145 1/20 0.38
DHFR P00374 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
FPR1 P21462 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
PTPN1 P18031 1/20 0.37
TYMP P19971 1/20 0.37
ALOX5 P09917 1/20 0.36
DNMT1 P26358 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PRKDC P78527 1/20 0.36

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
SCHEMBL13323939 0.85 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPBWR1
SCHEMBL13323912 0.84 MAPT (0.44) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPBWR1
SCHEMBL13324015 0.83 ALOX5 (0.37) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPBWR1
SCHEMBL13323884 0.83 NPBWR1 (0.48) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPBWR1
SCHEMBL13324025 0.82 NPBWR1 (0.43) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPBWR1
SCHEMBL10072551 0.76 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL13323954 0.75 PPARG (0.39) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPBWR1
SCHEMBL7918572 0.72 PTGS2 (0.51) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL13323993 0.69 NPBWR1 (0.38) SMN1; SMN2CYP1A2CYP2C19ALDH1A1NPBWR1
SCHEMBL11965003 0.68 PDE9A (0.38) SMN1; SMN2CYP1A2CYP2C19ALDH1A1KDM4E

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-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 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-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors PRSS1, SPINT2, TMPRSS4 SMN1; SMN2 3333/4885CYP1A2 241/4885CYP2C19 195/4885

“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.