SCHEMBL6157320

SCHEMBL6157320

[CH2]C=Cc1cc2ccccc2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 1/20 0.45
PDPK1 O15530 1/20 0.45
NPC1 O15118 3/20 0.38
PLAU P00749 1/20 0.38
RAB9A P51151 2/20 0.36
HTR3A P46098 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BTK Q06187 1/20 0.34
CHEK1 O14757 1/20 0.33
MAPT P10636 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
SCHEMBL6157317 1.00 CYP1A2 (0.45) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL22147967 0.81 CYP1A2 (0.42) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL12408769 0.80 CYP1A2 (0.50) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL2338713 0.79 CYP1A2 (0.48) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL3163853 0.78 KDM4E (0.60) CYP1A2CYP2A6PDPK1NPC1RAB9A
SCHEMBL3163852 0.78 KDM4E (0.60) CYP1A2CYP2A6PDPK1NPC1RAB9A
SCHEMBL11386648 0.76 CYP1A2 (0.46) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL11386650 0.76 CYP1A2 (0.46) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL1202061 0.75 CYP2A6 (0.48) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL8150996 0.75 CYP1A2 (0.48) CYP1A2CYP2A6PDPK1NPC1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933283-B2 11-deoxy azalide antibacterials ABBOTT LABORATORIES (US) 2005-08-23 US claimed
EP-1501847-A2 11-DEOXY AZALIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP claimed
US-20040014953-A1 11-Deoxy azalide antibacterials ABBVIE INC. 2004-01-22 US claimed
WO-2003090679-A2 11-DEOXY AZALIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO claimed
US-6933283-B2 11-deoxy azalide antibacterials ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
EP-1501847-A2 11-DEOXY AZALIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP disclosed
US-20040014953-A1 11-Deoxy azalide antibacterials ABBVIE INC. 2004-01-22 US disclosed
WO-2003090679-A2 11-DEOXY AZALIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 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 (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-20040014953-A1 11-Deoxy azalide antibacterials TOP1, TOP2B, TOP2A CYP1A2 166/4885CYP2A6 179/4885PDPK1 3313/4885

“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.