SCHEMBL7209014

SCHEMBL7209014

[CH]1CC(c2ccc(-c3ncccn3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.42
ADRB2 P07550 1/20 0.42
HDAC4 P56524 3/20 0.41
MAOA P21397 1/20 0.39
CYP2A6 P11509 1/20 0.36
CYP3A4 P08684 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
S1PR1 P21453 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTR2B P41595 1/20 0.32
AOC3 Q16853 2/20 0.31
MAPKAPK2 P49137 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
SCHEMBL7109799 0.77 MAOA (0.40) CLK4ADRB2HDAC4MAOACYP2A6
SCHEMBL7109624 0.77 GAA (0.46) CLK4ADRB2HDAC4MAOACYP2A6
SCHEMBL7209332 0.77 CLK4 (0.44) CLK4ADRB2HDAC4MAOACYP2A6
SCHEMBL7108930 0.77 MAOA (0.43) CLK4ADRB2HDAC4MAOACYP2A6
SCHEMBL7148291 0.77 MAOA (0.47) CLK4ADRB2HDAC4MAOACYP2A6
SCHEMBL1200615 0.76 SLC18A3 (0.55) MAPKAPK2
SCHEMBL6685962 0.75 CLK4 (0.64) CLK4ADRB2HDAC4CYP2A6CYP3A4
SCHEMBL11662560 0.74 NPC1 (0.50) CYP3A4KDM1AMAOBNPC1RAB9A
SCHEMBL7103483 0.73 ADRB2 (0.49) CLK4ADRB2HDAC4MAOACYP2A6
SCHEMBL7107690 0.73 MAOA (0.38) CLK4ADRB2HDAC4MAOACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1310934-C Erythromycin 6-O-carbamoylketolide derivatives useful as antibacterial agents ORTHO MCNEIL PHARM INC (US) 2007-04-18 CN disclosed
CN-1543472-A 6-o-carbamoyl ketolide antibacterials ����-������ҩƷ��˾ 2004-11-03 CN 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-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 (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-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E CLK4 3703/4885ADRB2 4789/4885HDAC4 249/4885

“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.