SCHEMBL6482944

SCHEMBL6482944

COc1cc(CNc2ccc3c(c2)Nc2ccccc2S3)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 11/20 0.59
MAPT P10636 7/20 0.52
GAA P10253 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX15 P16050 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HIF1A Q16665 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ABCB1 P08183 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6484991 0.90 NOX1 (0.63) NOX1MAPTGAAMEN1KMT2A
SCHEMBL6482475 0.83 NOX1 (0.51) NOX1MAPTGAAMEN1KMT2A
SCHEMBL6770799 0.81 NOX1 (0.47) NOX1MAPTGAAMEN1KMT2A
SCHEMBL6484335 0.78 HIF1A (0.48) MAPTGAAMEN1KMT2ATDP1
SCHEMBL6484772 0.78 NOX1 (0.49) NOX1MAPTGAAMEN1KMT2A
SCHEMBL6482660 0.78 NOX1 (0.46) NOX1MAPTGAAMEN1KMT2A
SCHEMBL6481927 0.77 NOX1 (0.54) NOX1MAPTGAAMEN1KMT2A
SCHEMBL6491876 0.76 NOX1 (0.48) NOX1MAPTGAAMEN1KMT2A
SCHEMBL6481769 0.76 MAPT (0.50) MAPTGAAMEN1KMT2ALMNA
SCHEMBL239600 0.75 NOX1 (1.00) NOX1MAPTGAAMEN1KMT2A

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 6 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
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 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 998/4885MAPT 2337/4885GAA 1524/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 NOX1 1278/4885MAPT 3500/4885GAA 1297/4885

“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.