SCHEMBL2388031

SCHEMBL2388031

CCNCc1cc(C(=O)OC(C)(C)C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 15/20 0.48
KDM5C P41229 10/20 0.48
KDM5A P29375 7/20 0.48
KDM4C Q9H3R0 3/20 0.48
KDM4A O75164 4/20 0.43
KDM4B O94953 2/20 0.43
KDM6B O15054 2/20 0.43
KDM2B Q8NHM5 1/20 0.43
KDM5D Q9BY66 1/20 0.42
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
SLC7A5 Q01650 1/20 0.37
SREBF2 Q12772 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL27426145 0.84 ACACB (0.43) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL27425092 0.83 KDM5B (0.42) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL15637121 0.80 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL27426210 0.80 SLC7A5 (0.43) KDM5BKDM5CKDM5AKDM4CKDM6B
SCHEMBL22005801 0.78 KDM5C (0.55) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL28040010 0.78 SLC7A5 (0.44) KDM5BKDM5CKDM5AKDM4CKDM6B
SCHEMBL12682404 0.77 ATR (0.47) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL31133034 0.77 ATR (0.47) KDM5BKDM5CKDM5AKDM4CKDM4A
SCHEMBL509487 0.77 KDM5B (0.53) KDM5BKDM5CKDM5AKDM4CKDM4E
SCHEMBL27427192 0.77 SLC7A5 (0.40) KDM5BKDM5CKDM5AKDM4CKDM6B

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 4 patents. 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-7067481-B2 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE, INC. (US) 2006-06-27 US disclosed
US-20040266666-A1 Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2004-12-30 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 (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-20040266666-A1 Cross-linked glycopeptide-cephalosporin antibiotics GYPA, CSGALNACT1, ST3GAL3 KDM5B 3012/4885KDM5C 3134/4885KDM5A 3605/4885
US-20110224130-A1 CROSS-LINKED GLYCOPEPTIDE-CEPHALOSPORIN ANTIBIOTICS CSGALNACT1, GYPA, ST3GAL3 KDM5B 3008/4885KDM5C 3289/4885KDM5A 3488/4885

“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.