SCHEMBL6852485

SCHEMBL6852485

[CH2]/C=C/c1ccc(Oc2ncccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
LMNA P02545 4/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 3/20 0.62
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
APAF1 O14727 1/20 0.53
RAB9A P51151 7/20 0.46
MAPT P10636 6/20 0.41
HTT P42858 2/20 0.41
TLR4 O00206 2/20 0.41
TLR2 O60603 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 5/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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 0.79 LMNA (0.69) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL6879797 0.79 LMNA (0.69) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL6850767 0.77 ALDH1A1 (0.57) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL6850762 0.77 ALDH1A1 (0.57) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL347528 0.77 ALDH1A1 (1.00) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL2092809 0.76 TLR4 (0.55) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL2092808 0.76 TLR4 (0.55) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL27988544 0.74 SMN1; SMN2 (0.68) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL7030942 0.74 MEN1 (0.63) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL6851841 0.74 SMN1; SMN2 (0.57) SMN1; SMN2LMNAALDH1A1KDM4EMEN1

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 9 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
EP-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 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
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 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 (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 SMN1; SMN2 4344/4885LMNA 4459/4885ALDH1A1 3560/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E SMN1; SMN2 4281/4885LMNA 4263/4885ALDH1A1 3629/4885

“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.