SCHEMBL4861343

SCHEMBL4861343

[CH2]CCOc1ccc(-c2cccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.71
CYP3A4 P08684 3/20 0.71
CYP2D6 P10635 3/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
CYP11B2 P19099 5/20 0.50
CYP2A6 P11509 4/20 0.50
CYP11B1 P15538 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
CYP17A1 P05093 3/20 0.46
KIF11 P52732 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL5751218 0.85 CYP19A1 (0.73) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4865899 0.84 CYP19A1 (0.51) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14080906 0.83 CYP19A1 (0.71) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14129887 0.83 CYP2D6 (1.00) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12129582 0.82 CYP19A1 (0.69) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28046302 0.82 CYP3A4 (0.74) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4228524 0.82 CYP19A1 (0.74) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13527207 0.81 CYP2D6 (0.94) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2005120 0.80 CHRNB2 (0.62)
SCHEMBL5673661 0.80 CYP2D6 (0.62) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD CYP19A1 751/4885CYP3A4 30/4885CYP2D6 22/4885

“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.