SCHEMBL6879797

SCHEMBL6879797

O=CC=Cc1ccc(Oc2ncccn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.69
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
KDM4E B2RXH2 3/20 0.69
MEN1 O00255 1/20 0.50
APAF1 O14727 1/20 0.50
KMT2A Q03164 1/20 0.50
TRPA1 O75762 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 3/20 0.44
RAB9A P51151 4/20 0.44
HTT P42858 2/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6879792 1.00 LMNA (0.69) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL347528 0.82 ALDH1A1 (1.00) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL6852485 0.79 SMN1; SMN2 (0.62) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL10849454 0.78 ALDH1A1 (0.65) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL7184284 0.78 ALDH1A1 (0.65) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6850767 0.75 ALDH1A1 (0.57) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL6850762 0.75 ALDH1A1 (0.57) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5799195 0.73 ALDH1A1 (0.52) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5799192 0.73 ALDH1A1 (0.52) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL28466436 0.72 ALDH1A1 (0.52) LMNAALDH1A1SMN1; SMN2KDM4EMEN1

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
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
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 (3 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 LMNA 4303/4885ALDH1A1 2109/4885SMN1; SMN2 4073/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 LMNA 4459/4885ALDH1A1 3560/4885SMN1; SMN2 4344/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E LMNA 4263/4885ALDH1A1 3629/4885SMN1; SMN2 4281/4885

“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.