SCHEMBL6157883

SCHEMBL6157883

[CH2]/C=C/c1ccc(-c2ncccn2)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL6157887 1.00 HDAC1 (0.41) HDAC1NPC1RAB9AKDM4EGLA
SCHEMBL6156977 0.82 KDM4E (0.60) HDAC1NPC1RAB9AKDM4EGLA
SCHEMBL6156973 0.82 KDM4E (0.60) HDAC1NPC1RAB9AKDM4EGLA
SCHEMBL6878897 0.79 HDAC1 (0.42) HDAC1NPC1RAB9AKDM4EGLA
SCHEMBL6878892 0.79 HDAC1 (0.42) HDAC1NPC1RAB9AKDM4EGLA
SCHEMBL6852022 0.77 HDAC1 (0.41) HDAC1NPC1RAB9AKDM4EGLA
SCHEMBL6852028 0.77 HDAC1 (0.41) HDAC1NPC1RAB9AKDM4EGLA
SCHEMBL6852112 0.77 CYP2A6 (0.56) HDAC1NPC1RAB9AKDM4EGLA
SCHEMBL6851945 0.75 HDAC1 (0.42) HDAC1NPC1RAB9AKDM4EGLA
SCHEMBL6851947 0.75 HDAC1 (0.42) HDAC1NPC1RAB9AKDM4EGLA

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 12 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
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-20040014953-A1 11-Deoxy azalide antibacterials TOP1, TOP2B, TOP2A HDAC1 150/4885NPC1 1463/4885RAB9A 1091/4885

“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.