SCHEMBL6768334

SCHEMBL6768334

Fc1ccc2oc3ccc(NCc4ccc(F)c(F)c4F)cc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
PLA2G1B P04054 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAPT P10636 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35

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
SCHEMBL6496145 0.88 KMT2A (0.42) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6482131 0.88 MEN1 (0.42) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6769319 0.88 AHR (0.42) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6765530 0.88 CYP2C9 (0.36) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6494439 0.87 NTRK1 (0.40) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6768301 0.87 MEN1 (0.43) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6768336 0.85 NQO1 (0.37) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6495652 0.82 MAPT (0.54) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6768374 0.82 CYP2C9 (0.44) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2
SCHEMBL6768547 0.80 MEN1 (0.51) CYP3A4CYP2C9CYP2C19PLA2G1BCYP1A2

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 CYP3A4 1179/4885CYP2C9 1728/4885CYP2C19 2948/4885

“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.