SCHEMBL13323939

SCHEMBL13323939

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPBWR1 P48145 1/20 0.38
PTPN1 P18031 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
ALOX5 P09917 1/20 0.36
POLB P06746 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL13323884 0.82 NPBWR1 (0.48) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPBWR1
SCHEMBL13324015 0.82 ALOX5 (0.37) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPBWR1
SCHEMBL13324025 0.81 NPBWR1 (0.43) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPBWR1
SCHEMBL13323912 0.75 MAPT (0.44) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPBWR1
SCHEMBL10072551 0.75 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL13323954 0.74 PPARG (0.39) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPBWR1
SCHEMBL9726416 0.69 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPBWR1
SCHEMBL13323993 0.68 NPBWR1 (0.38) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPBWR1
SCHEMBL8220603 0.67 ALDH1A1 (0.53) ALDH1A1PTPN1LMNAKDM4EGAA
SCHEMBL13324044 0.66 PRKDC (0.38) SMN1; SMN2ALDH1A1CYP1A2CYP2C19NPBWR1

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 3333/4885ALDH1A1 975/4885CYP1A2 241/4885

“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.