SCHEMBL6156973

SCHEMBL6156973

[CH2]/C=C/c1ccc(-c2ccccn2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.60
NPC1 O15118 10/20 0.60
RAB9A P51151 9/20 0.60
MAPT P10636 5/20 0.60
GLA P06280 2/20 0.60
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LMNA P02545 4/20 0.43
POLB P06746 2/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43

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
SCHEMBL6156977 1.00 KDM4E (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6157883 0.82 HDAC1 (0.41) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6157887 0.82 HDAC1 (0.41) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6877002 0.80 KDM4E (0.56) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6877010 0.80 KDM4E (0.56) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6850817 0.80 KDM4E (0.56) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6850810 0.80 KDM4E (0.56) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL3900333 0.79 KDM4E (0.55) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL3900329 0.79 KDM4E (0.55) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL631055 0.79 KDM4E (0.64) KDM4ENPC1RAB9AMAPTGLA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933283-B2 11-deoxy azalide antibacterials ABBOTT LABORATORIES (US) 2005-08-23 US claimed
EP-1501847-A2 11-DEOXY AZALIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP claimed
US-20040014953-A1 11-Deoxy azalide antibacterials ABBVIE INC. 2004-01-22 US claimed
WO-2003090679-A2 11-DEOXY AZALIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO claimed
US-6933283-B2 11-deoxy azalide antibacterials ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
EP-1501847-A2 11-DEOXY AZALIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-02-02 EP 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-20040014953-A1 11-Deoxy azalide antibacterials ABBVIE INC. 2004-01-22 US disclosed
WO-2003090679-A2 11-DEOXY AZALIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO 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-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 KDM4E 2/4885NPC1 3291/4885RAB9A 485/4885
US-20040014953-A1 11-Deoxy azalide antibacterials TOP1, TOP2B, TOP2A KDM4E 1238/4885NPC1 1463/4885RAB9A 1091/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E KDM4E 3/4885NPC1 3251/4885RAB9A 442/4885

“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.