SCHEMBL6768336

SCHEMBL6768336

Fc1ccc2oc3ccc(NCc4c(F)ccc(F)c4F)cc3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.37
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB1 P18505 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRA4 P48169 3/20 0.33
GABRE P78334 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRG1 Q8N1C3 3/20 0.33
GABRG3 Q99928 3/20 0.33
GABRQ Q9UN88 3/20 0.33

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
SCHEMBL6768208 0.88 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1MAP2K7CYP3A4
SCHEMBL6482625 0.88 CYP1A2 (0.40) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6768603 0.88 AHR (0.43) NQO1SLC1A3SLC1A2SLC1A1GABRP
SCHEMBL6768334 0.85 CYP3A4 (0.37) NQO1SLC1A3SLC1A2SLC1A1GABRP
SCHEMBL6768301 0.83 MEN1 (0.43) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6496145 0.81 KMT2A (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6483865 0.81 MEN1 (0.42) SLC1A3SLC1A2SLC1A1HPGDMEN1
SCHEMBL6494439 0.80 NTRK1 (0.40) SLC1A3SLC1A2SLC1A1CYP3A4CYP2C9
SCHEMBL6484551 0.80 USP10 (0.48) HPGDLMNANTRK1USP10PIK3C3
SCHEMBL6482716 0.78 CLK1 (0.41) NQO1HPGDNTRK1USP10PIK3C3

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 NQO1 1361/4885SLC1A3 2567/4885SLC1A2 1145/4885

“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.