SCHEMBL6854067

SCHEMBL6854067

[CH2]/C=C/c1ccc(-n2cccn2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 3/20 0.40
KCNN4 O15554 1/20 0.37
KCNA5 P22460 1/20 0.37
ACLY P53396 1/20 0.36
NPC1 O15118 1/20 0.36
ADRA1A P35348 2/20 0.36
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL4819467 0.90 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL6876904 0.83 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL6876899 0.83 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL1610526 0.82 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL6850757 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL6850761 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL6852452 0.79 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL7035428 0.77 CYP1A2 (0.48) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL7031585 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL4302034 0.76 KCNN4 (0.52) ALDH1A1MAPTKDM4EMEN1LMNA

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 8 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-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 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
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US 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 (2 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-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885MAPT 3982/4885KDM4E 2/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885MAPT 4095/4885KDM4E 3/4885

“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.