SCHEMBL6878724

SCHEMBL6878724

NOCc1ccc(-c2ncccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.62
IDO1 P14902 15/20 0.59
AGXT P21549 11/20 0.59
CLK4 Q9HAZ1 1/20 0.47
CYP3A4 P08684 2/20 0.47

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
SCHEMBL6876851 0.81 ADRB2 (0.58) ADRB2IDO1AGXTCLK4
SCHEMBL25735768 0.80 CLK4 (0.57) ADRB2CLK4
SCHEMBL23961939 0.79 IDO1 (0.58) IDO1AGXTCYP3A4
SCHEMBL6875904 0.77 ADRB2 (0.53) ADRB2IDO1AGXTCLK4
SCHEMBL2427481 0.77 ADRB2 (1.00) ADRB2CLK4
SCHEMBL6875901 0.76 ADRB2 (0.52) ADRB2IDO1AGXTCLK4
SCHEMBL28135249 0.75 ADRB2 (0.96) ADRB2CLK4
SCHEMBL6685962 0.75 CLK4 (0.64) ADRB2CLK4CYP3A4
SCHEMBL438248 0.75 IDO1 (0.78) IDO1AGXTCYP3A4
SCHEMBL1714754 0.74 IDO1 (1.00) IDO1AGXTCYP3A4

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 2 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-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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 (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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 ADRB2 4390/4885IDO1 1322/4885AGXT 99/4885

“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.