SCHEMBL6875904

SCHEMBL6875904

[CH2]COCc1ccc(-c2ncccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.53
CLK4 Q9HAZ1 2/20 0.44
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AOC3 Q16853 2/20 0.36
TSHR P16473 1/20 0.35
CYP2A6 P11509 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33
DHFR P00374 1/20 0.33
DYRK1A Q13627 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT5 O14744 1/20 0.33
PIK3CD O00329 1/20 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
SCHEMBL6270017 0.78 ADRB2 (0.63) ADRB2CLK4HDAC1HDAC8HDAC6
SCHEMBL6854269 0.77 ADRB2 (0.49) ADRB2CLK4HDAC1HDAC8HDAC6
SCHEMBL25735768 0.77 CLK4 (0.57) ADRB2CLK4HDAC1HDAC8HDAC6
SCHEMBL6878724 0.77 ADRB2 (0.62) ADRB2CLK4IDO1AGXT
SCHEMBL6275261 0.75 ADRB2 (0.59) ADRB2CLK4HDAC1HDAC8HDAC6
SCHEMBL6875901 0.73 ADRB2 (0.52) ADRB2CLK4HDAC1HDAC8HDAC6
SCHEMBL6685962 0.72 CLK4 (0.64) ADRB2CLK4AOC3CYP2A6MEN1
SCHEMBL6847780 0.72 ADRB2 (0.55) ADRB2CLK4AOC3CYP2A6MEN1
SCHEMBL444755 0.71 LOXL2 (0.42) TSHRKMT2AKDM4EPRMT5
SCHEMBL5050249 0.71 IDO1 (0.48) MEN1KMT2AIDO1AGXTDHFR

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US 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
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

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-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ADRB2 4798/4885CLK4 3779/4885HDAC1 165/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ADRB2 4789/4885CLK4 3703/4885HDAC1 165/4885

“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.