SCHEMBL968701

SCHEMBL968701

CCN(Cc1ccncc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.51
LMNA P02545 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
MAPT P10636 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
BLM P54132 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GFER P55789 1/20 0.46
HDAC3 O15379 1/20 0.45

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
SCHEMBL9348378 0.85 NAMPT (0.44) USP2LMNACYP2C9CYP2C19TSHR
SCHEMBL23288368 0.84 LMNA (0.60) LMNATSHRHSD17B10HDAC3HDAC1
SCHEMBL2056117 0.83 HDAC3 (0.49) LMNACYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL8286119 0.83 HDAC3 (0.49) LMNATSHRMEN1KMT2AMAPT
SCHEMBL1956844 0.83 HDAC3 (0.52) LMNATSHRMEN1KMT2AMAPT
SCHEMBL30400038 0.83 CYP17A1 (0.46) USP2TSHRHSD17B10HDAC3HDAC1
SCHEMBL2056134 0.82 HDAC3 (0.49) LMNACYP2C9MEN1KMT2ACYP3A4
SCHEMBL14587226 0.82 HDAC3 (0.51) LMNAMEN1KMT2AMAPTHDAC3
SCHEMBL23545662 0.82 HDAC1 (0.48) LMNATSHRMEN1KMT2AHSD17B10
SCHEMBL3156567 0.82 HDAC1 (0.48) LMNATSHRMEN1KMT2AMAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314217-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2012-11-20 US disclosed
US-20110224130-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE, INC. (US) 2011-09-15 US disclosed
US-7871997-B2 Cephalosporin compounds THERAVANCE, INC. (US) 2011-01-18 US disclosed
EP-1633759-B1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS THERAVANCE INC (US) 2009-12-02 EP disclosed
US-20080103299-A1 Cross-linked glycopeptide - cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2008-05-01 US disclosed
US-7332471-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2008-02-19 US disclosed
US-7067481-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2006-06-27 US disclosed
US-20060128612-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2006-06-15 US disclosed
EP-1633759-A1 CROSS-LINKED GLYCOPEPTIDE - CEPHALOSPORIN ANTIBIOTICS Theravance, Inc. (US) 2006-03-15 EP disclosed
US-20040266666-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2004-12-30 US disclosed
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 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 (4 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-20040266666-A1 Cross-linked glycopeptide-cephalosporin antibiotics GYPA, CSGALNACT1, ST3GAL3 USP2 2674/4885LMNA 3170/4885CYP2C9 1062/4885
US-20060128612-A1 Cross-linked glycopeptide-cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 USP2 2726/4885LMNA 3243/4885CYP2C9 1234/4885
US-20080103299-A1 Cross-linked glycopeptide - cephalosporin antibiotics CSGALNACT1, GYPA, ST3GAL3 USP2 2799/4885LMNA 3192/4885CYP2C9 1300/4885
US-20110224130-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 USP2 2799/4885LMNA 3192/4885CYP2C9 1300/4885

“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.