SCHEMBL6498005

SCHEMBL6498005

CNc1ccc2oc3ccc(NCc4ccc(C(C)(C)C)cc4)cc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TRPV1 Q8NER1 2/20 0.44
PTK2 Q05397 1/20 0.38
MAOB P27338 1/20 0.38
PON1 P27169 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
HIF1A Q16665 1/20 0.36
FSHR P23945 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6484020 0.88 CA1 (0.45) CA1CA2TRPV1MAOBCA12
SCHEMBL6482939 0.87 CA1 (0.44) CA1CA2TRPV1PTK2MAOB
SCHEMBL6492918 0.83 MAOB (0.53) CA1CA2MAOBCA12CA9
SCHEMBL6498073 0.81 RAB9A (0.56) CA1CA2CA12CA9HIF1A
SCHEMBL6530006 0.81 KDM4E (0.49) MAOBCA12CA9KDM4EMEN1
SCHEMBL6768203 0.79 GHSR (0.43) CA1CA2MAOBCA12CA9
SCHEMBL6483400 0.76 NPC1 (0.48) MAOBCA12CA9KMT2A
SCHEMBL6494943 0.76 DHFR (0.51) HIF1AKDM4EMEN1ALDH1A1LMNA
SCHEMBL5184746 0.75 CA1 (0.70) CA1CA2TRPV1CA12EPHX2
SCHEMBL6495091 0.75 GAA (0.50) KDM4EMEN1USP2ALDH1A1LMNA

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 7 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-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 CA1 914/4885CA2 989/4885TRPV1 2689/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 CA1 1533/4885CA2 1473/4885TRPV1 2115/4885

“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.