SCHEMBL6847836

SCHEMBL6847836

c1cnc(-c2ccc(-c3ccoc3)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 5/20 0.44
ADRB2 P07550 1/20 0.44
CYP1A2 P05177 11/20 0.43
CYP2D6 P10635 10/20 0.43
CYP3A4 P08684 9/20 0.43
CYP2C19 P33261 9/20 0.43
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
USP2 O75604 7/20 0.43
MAPT P10636 5/20 0.43
TSHR P16473 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 7/20 0.42
ALOX15 P16050 6/20 0.42
TP53 P04637 1/20 0.42
TDO2 P48775 1/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 2/20 0.41
LPL P06858 1/20 0.41

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
SCHEMBL18952015 0.89 CYP1A2 (0.50) CLK4CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL16625771 0.79 CLK4 (0.61) CLK4ADRB2CYP1A2CYP3A4MEN1
SCHEMBL1772039 0.79 LPL (0.54) CLK4CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL13996092 0.79 KDM4E (0.46) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL6685962 0.76 CLK4 (0.64) CLK4ADRB2CYP1A2CYP3A4MEN1
SCHEMBL5781692 0.75 CTRC (0.48) CLK4CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL571400 0.74
SCHEMBL7191487 0.74 LPL (0.46) CLK4CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL29620537 0.73 KMT2A (0.52) CLK4CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL10142592 0.73 HTR7 (0.44) CLK4CYP1A2CYP2D6CYP3A4CYP2C19

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
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-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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

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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 CLK4 3870/4885ADRB2 4390/4885CYP1A2 1942/4885

“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.