SCHEMBL5014459

SCHEMBL5014459

[CH2]CCCn1cnc(-c2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 0.68
CYP2C19 P33261 6/20 0.68
CYP3A4 P08684 6/20 0.68
CYP2C9 P11712 5/20 0.68
CYP2B6 P20813 5/20 0.68
CYP2E1 P05181 4/20 0.68
CYP2D6 P10635 3/20 0.62
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
TLR8 Q9NR97 1/20 0.41
CYP1A2 P05177 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NAMPT P43490 1/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL5493639 0.93 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL1987084 0.87 CYP2A6 (0.67) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL7588204 0.87 CYP2A6 (0.67) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL12478490 0.87 CYP2A6 (0.76) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL6690177 0.86 CYP2A6 (0.74) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL5717914 0.86 CYP2A6 (0.65) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL31282496 0.86 CYP2A6 (0.65) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL13750026 0.86 CYP2C9 (0.74) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL708867 0.86 CYP2A6 (0.65) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL6423436 0.86 CYP2A6 (0.65) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103193840-A Macrolide derivative TAISHO PHARMACEUTICAL CO LTD 2013-07-10 CN claimed
CN-101454334-B Macrolide derivatives TAISHO PHARMACEUTICAL CO LTD 2013-04-10 CN claimed
CN-101454334-A Macrolide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-10 CN claimed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US claimed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP claimed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO claimed
CN-1052984-C Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-05-31 CN claimed
CN-1246123-A Novel erythromycin derivatives, their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 2000-03-01 CN claimed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN claimed
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
CN-103193840-A Macrolide derivative TAISHO PHARMACEUTICAL CO LTD 2013-07-10 CN disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
CN-101454334-B Macrolide derivatives TAISHO PHARMACEUTICAL CO LTD 2013-04-10 CN disclosed
CN-101454334-A Macrolide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-10 CN disclosed
CN-1246123-A Novel erythromycin derivatives, their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 2000-03-01 CN disclosed
CN-1235162-A New derivatives for erythromycin HOECHST MARIO ROUSSEL (FR) 1999-11-17 CN disclosed
CN-1229082-A Amine compound and its acid addition salt ROUSSEL UCLAF (FR) 1999-09-22 CN disclosed
CN-1212700-A Novel erythromycin derivatives, method for preparing same, and use thereof as drug HURST MARIO ROUSSEL (FR) 1999-03-31 CN disclosed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN disclosed
CN-1133291-A Erythromycin derivant and preparation method and usage of medicine thereof ROUSSEL UCLAF (FR) 1996-10-16 CN 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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT CYP2A6 515/4885CYP2C19 1213/4885CYP3A4 1362/4885

“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.