SCHEMBL6483310

SCHEMBL6483310

Cc1cccc(CNc2ccc3oc4ccccc4c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
APP P05067 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.43
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
EGFR P00533 1/20 0.42
BCAT1 P54687 1/20 0.41
GFER P55789 1/20 0.41
HPGD P15428 4/20 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
SCHEMBL6494818 0.87 CLK4 (0.42) MAOBCA12CA9HTTCDC7
SCHEMBL6493319 0.86 HTT (0.53) MAOBCA12CA9HTTHPGD
SCHEMBL7246584 0.86 CYP1A2 (0.53) MAOBCA12CA9TP53HTT
SCHEMBL6482295 0.86 HPGD (0.54) MAOBCA12CA9HTTEGFR
SCHEMBL6490356 0.84 HPGD (0.52) MAOBAPPHTTCDC7ROCK2
SCHEMBL6480507 0.84 HIF1A (0.51) MAOBCA12CA9HTTEGFR
SCHEMBL6497189 0.84 IDO1 (0.54) MAOBAPPTP53EGFRALDH1A1
SCHEMBL6493255 0.83 MAPT (0.55) APPHTTEGFRHPGDHSD17B10
SCHEMBL7245463 0.83 MAOB (0.47) MAOBTP53HTTHPGDCYP1A2
SCHEMBL6482603 0.81 FFAR1 (0.54) ALDH1A1MAPTMEN1KMT2ATDP1

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 8 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-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 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

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 MAOB 428/4885APP 4080/4885CA12 531/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 MAOB 1587/4885APP 4742/4885CA12 887/4885

“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.