SCHEMBL6530006

SCHEMBL6530006

CNc1ccc2oc3ccc(NCc4ccncc4)cc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
PABPC1 P11940 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
MAOB P27338 1/20 0.42
HTT P42858 3/20 0.42
ALOX12 P18054 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
LRRK2 Q5S007 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6491860 0.86 KDM4E (0.49) KDM4EALDH1A1MAPTGAANPSR1
SCHEMBL6492918 0.85 MAOB (0.53) KDM4EALDH1A1GAAHSD17B10MAOB
SCHEMBL6485990 0.84 KDM4E (0.48) KDM4EALDH1A1MAPTGAANPSR1
SCHEMBL6495843 0.84 ALDH1A1 (0.48) KDM4EALDH1A1MAPTGAANPSR1
SCHEMBL6482868 0.84 ALDH1A1 (0.48) KDM4EALDH1A1MAPTGAANPSR1
SCHEMBL6498005 0.81 CA1 (0.46) KDM4EALDH1A1MAPTMAOBHTT
SCHEMBL6498073 0.81 RAB9A (0.56) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL6768203 0.79 GHSR (0.43) MAOBCA12CA9
SCHEMBL6483400 0.78 NPC1 (0.48) TDP1MAOBCA12CA9RAB9A
SCHEMBL6494943 0.78 DHFR (0.51) KDM4EALDH1A1MAPTGAATDP1

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 10 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
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 KDM4E 1279/4885ALDH1A1 4486/4885MAPT 2337/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 KDM4E 1476/4885ALDH1A1 4111/4885MAPT 3500/4885

“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.