SCHEMBL6530022

SCHEMBL6530022

c1ccc2c(c1)Oc1ccc(NCc3ccnc4ccccc34)cc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
PDE5A O76074 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 5/20 0.40
FLT1 P17948 4/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PABPC1 P11940 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FERMT2 Q96AC1 1/20 0.38
RAF1 P04049 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL6493285 0.85 LOXL2 (0.38) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6482039 0.81 LOXL2 (0.42) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6888840 0.81 KDR (0.36) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6495089 0.79 LOXL2 (0.45) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6527096 0.78 MAPT (0.46) MAPTGAARAB9AKDRALDH1A1
SCHEMBL6485086 0.78 LOXL2 (0.39) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6492265 0.77 BRD4 (0.45) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL7551761 0.76 MEN1 (0.40) MAPTKDRFLT1ALDH1A1LMNA
SCHEMBL6528948 0.74 KDM4E (0.64) MAPTGAARAB9AKDRALDH1A1
SCHEMBL7252426 0.74 LOXL2 (0.49) LOXL2HTR1AADRA1DADRA1AADRA1B

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
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 LOXL2 2681/4885HTR1A 2551/4885ADRA1D 4250/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 LOXL2 4224/4885HTR1A 2681/4885ADRA1D 3880/4885

“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.