SCHEMBL6869730

SCHEMBL6869730

OCC=C(F)c1ccc(-c2ncccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
AOC3 Q16853 2/20 0.41
CLK4 Q9HAZ1 1/20 0.39
CYP2A6 P11509 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
HDAC4 P56524 2/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
AVPR2 P30518 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
MAOA P21397 1/20 0.31
MAP4K4 O95819 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL6877431 1.00 ADRB2 (0.43) ADRB2AOC3CLK4CYP2A6NPC1
SCHEMBL6869726 1.00 ADRB2 (0.43) ADRB2AOC3CLK4CYP2A6NPC1
SCHEMBL6869722 0.83 TRPV1 (0.43) NPC1RAB9A
SCHEMBL6869713 0.83 TRPV1 (0.43) NPC1RAB9A
SCHEMBL6869718 0.83 TRPV1 (0.43) NPC1RAB9A
SCHEMBL7033286 0.83 HDAC4 (0.36) NPC1RAB9AHDAC4MEN1KMT2A
SCHEMBL7033287 0.83 HDAC4 (0.36) NPC1RAB9AHDAC4MEN1KMT2A
SCHEMBL6850708 0.81 MEN1 (0.38) NPC1RAB9AMEN1KMT2AMAP4K4
SCHEMBL6850714 0.81 MEN1 (0.38) NPC1RAB9AMEN1KMT2AMAP4K4
SCHEMBL6879912 0.80 HDAC1 (0.42) CLK4MAP4K4MAPT

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 4390/4885AOC3 1365/4885CLK4 3870/4885

“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.