SCHEMBL6852249

SCHEMBL6852249

COc1cc(C=O)ccc1-n1cccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
ALDH1A3 P47895 1/20 0.54
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 1/20 0.50
TRIM24 O15164 1/20 0.46
HPGD P15428 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
TTR P02766 1/20 0.44
FDPS P14324 1/20 0.44
AOX1 Q06278 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
USP9X Q93008 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL6881836 0.87 XDH (0.51) ALDH1A1ALDH1A3KDM4EMAPK1TSHR
SCHEMBL6881828 0.87 XDH (0.51) ALDH1A1ALDH1A3KDM4EMAPK1TSHR
SCHEMBL6852452 0.83 ALDH1A1 (0.39) ALDH1A1ALDH1A3KDM4EMAPK1HPGD
SCHEMBL6850818 0.80 IRAK4 (0.46) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL6850814 0.80 IRAK4 (0.46) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL7033553 0.79 HCRTR1 (0.45) ALDH1A1KDM4EMAPK1MAPTMEN1
SCHEMBL20929574 0.79 ALDH1A1 (0.58) ALDH1A1ALDH1A3KDM4EMAPK1MAPT
SCHEMBL22045911 0.78 ALDH1A1 (0.54) ALDH1A1ALDH1A3KDM4EMAPK1MAPT
SCHEMBL6881690 0.78 USP9X (0.38) ALDH1A1ALDH1A3KDM4EMAPK1MAPT
SCHEMBL6881700 0.78 USP9X (0.38) ALDH1A1ALDH1A3KDM4EMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459321-B2 Broad spectrum antiviral compositions and methods EVRYS BIO, LLC (US) 2022-10-04 US disclosed
US-20210139475-A1 Broad Spectrum Antiviral Compositions and Methods EVRYS BIO, LLC (US) 2021-05-13 US disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
EP-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 EP disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 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 (5 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 ALDH1A1 2109/4885ALDH1A3 2869/4885KDM4E 18/4885
US-11459321-B2 Broad spectrum antiviral compositions and methods IRF3, MAVS, ZC3HAV1 ALDH1A1 2639/4885ALDH1A3 953/4885KDM4E 2307/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885ALDH1A3 2983/4885KDM4E 2/4885
US-20210139475-A1 Broad Spectrum Antiviral Compositions and Methods MAVS, IRF3, ZC3HAV1 ALDH1A1 2908/4885ALDH1A3 954/4885KDM4E 2604/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885ALDH1A3 3128/4885KDM4E 3/4885

“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.