SCHEMBL4865899

SCHEMBL4865899

[CH2]CCOc1cccc(-c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.51
CYP11B1 P15538 4/20 0.51
CYP11B2 P19099 4/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2A6 P11509 2/20 0.47
S1PR1 P21453 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP17A1 P05093 2/20 0.46
GRM5 P41594 1/20 0.45
CHRNB2 P17787 3/20 0.44
CHRNB1 P11230 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
SCHEMBL5749788 0.86 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL3177161 0.84 MKNK1 (0.56) CYP19A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL12436809 0.84 CYP19A1 (0.63) CYP19A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL4861343 0.84 CYP19A1 (0.71) CYP19A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL4870398 0.83 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL2005120 0.81 CHRNB2 (0.62) CHRNB2CHRNB1CHRNB4CHRNA3CHRNA4
SCHEMBL5674861 0.81 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL27958859 0.81 CYP19A1 (0.75) CYP19A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL15740654 0.81 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL8539823 0.80 LTA4H (0.57) ALDH1A1

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 5 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
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US 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 751/4885CYP11B1 262/4885CYP11B2 376/4885

“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.