SCHEMBL6765610

SCHEMBL6765610

NC(c1ccc2ccccc2c1)c1ccc2oc3ccc(F)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 5/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
NQO1 P15559 1/20 0.39
TNKS O95271 1/20 0.38
CBX7 O95931 1/20 0.37
CDYL Q9Y232 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6775758 0.82 MAPT (0.37) CYP1A2TNKSKDM4EMAPTHPGD
SCHEMBL6480205 0.82 SMN1; SMN2 (0.35) CYP1A2CYP2A6CYP3A4TNKSKDM4E
SCHEMBL6485988 0.78 DPP4 (0.38) NQO1TNKSKDM4EMEN1ALDH1A1
SCHEMBL6482433 0.77 TNKS (0.35) NQO1TNKSKDM4EMAPTHPGD
SCHEMBL6483035 0.77 MEN1 (0.34) NQO1TNKSMEN1KMT2ALMNA
SCHEMBL6482495 0.77 KCNA5 (0.38) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL6495063 0.77 MAPT (0.35) CYP2D6SLC6A2SLC6A4SLC6A3NQO1
SCHEMBL2050767 0.77 CYP1A2 (0.50) CYP1A2CYP2A6CYP3A4CYP2D6SLC6A2
SCHEMBL7246583 0.76 MAPT (0.58) CYP1A2CYP3A4CYP2D6NQO1TNKS
SCHEMBL6482835 0.76 MEN1 (0.33) NQO1TNKSMEN1KMT2ALMNA

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-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
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 (1 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 CYP1A2 649/4885CYP2A6 661/4885CYP3A4 1179/4885

“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.