SCHEMBL4820550

SCHEMBL4820550

[CH2]/C=C/c1ccc(-c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
P4HB P07237 1/20 0.49
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
CYP11B2 P19099 3/20 0.49
KIF11 P52732 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
FLT3 P36888 1/20 0.46
CYP11B1 P15538 2/20 0.46
CYP19A1 P11511 2/20 0.44
CYP17A1 P05093 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL4822624 0.82 CYP2A6 (0.52) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL4814697 0.82 CYP2A6 (0.52) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL21323236 0.81 CYP2A6 (0.56) CYP2A6ALDH1A1CYP3A4CYP1A2P4HB
SCHEMBL12360063 0.81 CYP2A6 (0.60) CYP2A6ALDH1A1CYP3A4CYP1A2P4HB
SCHEMBL550148 0.81 CYP2A6 (0.60) CYP2A6ALDH1A1CYP3A4CYP1A2P4HB
SCHEMBL30785347 0.81 CYP2A6 (0.60) CYP2A6ALDH1A1CYP3A4CYP1A2P4HB
SCHEMBL24534338 0.79 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL13907273 0.79 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL29360677 0.79 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
Benzene SCHEMBL28562972 0.79 CYP2A6 (0.58) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US claimed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US claimed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP claimed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US disclosed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US disclosed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP 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
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO 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 (3 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 CYP2A6 421/4885ALDH1A1 3560/4885CYP3A4 1070/4885
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 CYP2A6 23/4885ALDH1A1 1363/4885CYP3A4 297/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E CYP2A6 478/4885ALDH1A1 3629/4885CYP3A4 1193/4885

“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.