SCHEMBL6528050

SCHEMBL6528050

Fc1ccc(F)c(CNc2ccc3sc4ccccc4c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
PLA2G1B P04054 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NTRK1 P04629 2/20 0.39
PTGIR P43119 1/20 0.39
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
IDO1 P14902 1/20 0.38
DHODH Q02127 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
SCHEMBL6528974 0.88 MAPT (0.55) CYP1A2CYP2C9CYP2C19PLA2G1BCYP3A4
SCHEMBL6530153 0.84 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19PLA2G1BCYP3A4
SCHEMBL6529029 0.80 MAPT (0.41) CYP1A2CYP2C9CYP2C19PLA2G1BCYP3A4
SCHEMBL6527944 0.80 MAPT (0.43) CYP1A2CYP2C9CYP2C19PLA2G1BCYP3A4
SCHEMBL6491702 0.79 GAA (0.49) CYP1A2CYP2C9CYP2C19PLA2G1BCYP3A4
SCHEMBL6775812 0.77 MAPT (0.43) MEN1KMT2AMAPTALDH1A1PTGIR
SCHEMBL6770092 0.77 MAPT (0.43) CYP1A2CYP2C9CYP2C19PLA2G1BCYP3A4
SCHEMBL6768996 0.77 RAB9A (0.45) CYP1A2CYP2C9CYP2C19PLA2G1BCYP3A4
SCHEMBL6527513 0.76 UTS2R (0.45) CYP3A4MAPTPTGIRIDO1DHODH
SCHEMBL6493321 0.76 CYP2C19 (0.45) CYP1A2CYP2C9CYP2C19PLA2G1BCYP3A4

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 CYP1A2 649/4885CYP2C9 1728/4885CYP2C19 2948/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 CYP1A2 2938/4885CYP2C9 2166/4885CYP2C19 3385/4885

“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.