SCHEMBL5209764

SCHEMBL5209764

O=CCCn1cnc(-c2cccnc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 0.67
CYP3A4 P08684 7/20 0.67
CYP2C19 P33261 6/20 0.67
CYP2C9 P11712 5/20 0.67
CYP2B6 P20813 5/20 0.67
CYP2E1 P05181 4/20 0.67
CYP2D6 P10635 3/20 0.60
LOXL2 Q9Y4K0 1/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ERN1 O75460 1/20 0.40
CYP1A2 P05177 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGDS O60760 1/20 0.39
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL5208549 0.92 CYP2A6 (0.63) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6
SCHEMBL5201713 0.91 CYP2A6 (0.62) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6
SCHEMBL7067437 0.87 CYP2A6 (0.65) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6
SCHEMBL27697055 0.87 CYP2A6 (0.69) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6
SCHEMBL5718131 0.85 PDE10A (0.49) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6
SCHEMBL5717633 0.84 CYP2C9 (0.44) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6
SCHEMBL5493639 0.82 CYP2A6 (0.70) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6
SCHEMBL5017549 0.82 CYP2A6 (0.70) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6
SCHEMBL8204568 0.82 CYP2A6 (0.80) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6
SCHEMBL5017551 0.82 CYP2A6 (0.70) CYP2A6CYP3A4CYP2C19CYP2C9CYP2B6

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
CN-103391944-A Novel macrolide intermediate and novel production process MEIJI SEIKA PHARMA CO LTD 2013-11-13 CN disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
US-20020151507-A1 9-oxime erythromycin derivatives WU YONG-JIN (US) 2002-10-17 US disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
US-20020025937-A1 9-OXIME ERYTHROMYCIN DERIVATIVES PFIZER INC. 2002-02-28 US disclosed
CN-1259135-A 9-oxime erythromycin derivatives PFIZER PROD INC (US) 2000-07-05 CN disclosed
EP-0988308-A1 9-OXIME ERYTHROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2000-03-29 EP disclosed
WO-1998056800-A1 9-OXIME ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-12-17 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 (5 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CYP2A6 522/4885CYP3A4 341/4885CYP2C19 209/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP2A6 522/4885CYP3A4 341/4885CYP2C19 209/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP2A6 562/4885CYP3A4 500/4885CYP2C19 380/4885
US-20020025937-A1 9-OXIME ERYTHROMYCIN DERIVATIVES CYP2C9, SULT1E1, CYP2D6 CYP2A6 10/4885CYP3A4 37/4885CYP2C19 7/4885
US-20020151507-A1 9-oxime erythromycin derivatives CYP2C9, CYP2D6, SULT1E1 CYP2A6 9/4885CYP3A4 38/4885CYP2C19 7/4885

“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.