SCHEMBL6484476

SCHEMBL6484476

NC(c1ccc2oc3ccc(Cl)cc3c2c1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM2 P08172 3/20 0.38
ADRA2B P18089 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
HRH1 P35367 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
HRH2 P25021 2/20 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
SCHEMBL6482207 0.88 MAPT (0.47) AHRALDH1A1NPC1KDM4EHPGD
SCHEMBL6495063 0.84 MAPT (0.35) ALDH1A1NPC1KDM4ETP53HPGD
SCHEMBL10557226 0.78 SLC6A2 (0.51) ALDH1A1KDM4ECHRM2ADRA2BSLC6A2
SCHEMBL6482864 0.78 AHR (0.46) AHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23366716 0.77 SLC6A2 (0.46) CHRM2ADRA2BSLC6A2SLC6A4HRH1
SCHEMBL6498052 0.76 CYP19A1 (0.47) AHRALDH1A1NPC1KDM4ERAB9A
SCHEMBL6483201 0.75 AHR (0.41) AHRALDH1A1NPC1RAB9ALMNA
SCHEMBL14406909 0.74 S1PR3 (0.46) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL6768292 0.74 AHR (0.42) AHRALDH1A1NPC1KDM4EHPGD
Hydrochloric Acid SCHEMBL14333157 0.73 S1PR3 (0.45) ALDH1A1NPC1TP53RAB9ASMN1; SMN2

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 AHR 2670/4885ALDH1A1 4486/4885NPC1 1256/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 AHR 1774/4885ALDH1A1 4111/4885NPC1 2036/4885

“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.