SCHEMBL5398443

SCHEMBL5398443

CC(O)Cc1c[nH]c2c(F)ccc(Br)c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
GPR84 Q9NQS5 2/20 0.34
TNF P01375 2/20 0.33
ADRB3 P13945 8/20 0.33
MPO P05164 3/20 0.32
SLC6A4 P31645 2/20 0.32
ADRB1 P08588 3/20 0.31
ADRB2 P07550 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL21600577 0.80 HTR1A (0.43) HTR1AGPR84TNFMPOSLC6A4
SCHEMBL5387311 0.77 HTR1A (0.48) HTR1AGPR84MPOSLC6A4HTR2A
SCHEMBL5392766 0.73 HTR1A (0.38) HTR1AGPR84TNFMPOSLC6A4
SCHEMBL19216724 0.71 HTR1A (0.36) HTR1AGPR84
SCHEMBL30457622 0.67 HTR1A (0.33) HTR1AGPR84
SCHEMBL20576934 0.67 ALDH1A1 (0.35) HTR1AGPR84TNF
SCHEMBL16986776 0.66 ALOX15 (0.39) HTR2AHTR2C
SCHEMBL28477011 0.66 NOS3 (0.40) HTR2A
SCHEMBL3459241 0.66 ALOX15 (0.39) HTR2AHTR2C
SCHEMBL31730632 0.65 TNF (0.64) HTR1ATNFMPOSLC6A4HTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217730-B2 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2007-05-15 US disclosed
CN-1655778-A Methods of treating hepatitis C virus infection using pyranoindole derivatives WYETH CORP (US) 2005-08-17 CN disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 EP disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 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-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 HTR1A 347/4885GPR84 2156/4885TNF 2317/4885

“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.