SCHEMBL6484772

SCHEMBL6484772

CC(C)(C)c1ccc(CNc2ccc3c(c2)Nc2ccccc2S3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 12/20 0.49
CYBB P04839 2/20 0.49
NOX3 Q9HBY0 2/20 0.49
NOX4 Q9NPH5 2/20 0.49
GAA P10253 6/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALOX15 P16050 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TRPV1 Q8NER1 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
SNCA P37840 2/20 0.41

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
SCHEMBL6482475 0.86 NOX1 (0.51) NOX1CYBBNOX3NOX4GAA
SCHEMBL6484991 0.83 NOX1 (0.63) NOX1GAAMAPTMEN1KMT2A
SCHEMBL6491876 0.81 NOX1 (0.48) NOX1CYBBNOX3NOX4GAA
SCHEMBL25898787 0.78 NOX1 (0.71) NOX1CYBBNOX3NOX4GAA
SCHEMBL6482944 0.78 NOX1 (0.59) NOX1CYBBNOX3NOX4GAA
SCHEMBL6482993 0.78 TRPV1 (0.43) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6482660 0.78 NOX1 (0.46) NOX1CYBBNOX3NOX4GAA
SCHEMBL6481927 0.77 NOX1 (0.54) NOX1CYBBNOX3NOX4GAA
SCHEMBL6492085 0.77 KIF11 (0.46) GAAMAPTMEN1KMT2ATDP1
SCHEMBL6770799 0.76 NOX1 (0.47) NOX1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US disclosed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 NOX1 998/4885CYBB 444/4885NOX3 715/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 NOX1 1278/4885CYBB 1823/4885NOX3 1024/4885

“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.