SCHEMBL5586971

SCHEMBL5586971

CCN1C(=O)N(Cl)C(C)(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
F2 P00734 1/20 0.44
CTSG P08311 1/20 0.44
CTRC Q99895 1/20 0.44
NPSR1 Q6W5P4 2/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
MGLL Q99685 1/20 0.34
POLB P06746 1/20 0.34
PLA2G7 Q13093 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
RAB9A P51151 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
SCHEMBL1320959 0.84 POLB (0.45) ELANEPOLBPLA2G7RAB9A
SCHEMBL19423839 0.81 POLB (0.33) POLBPLA2G7
SCHEMBL19404137 0.81 POLB (0.33) POLBPLA2G7
SCHEMBL5584310 0.77 PTGS1 (0.46) MGLL
SCHEMBL5584605 0.77 PTGS1 (0.46) MGLL
SCHEMBL419379 0.77 F2 (0.48) ELANEF2CTSGCTRCNPSR1
SCHEMBL16594895 0.76 GAA (0.43) ALDH1A1LMNAMAPTPOLB
SCHEMBL11696234 0.76 F2 (0.46) ELANEF2CTSGCTRCNPSR1
SCHEMBL13293916 0.75 TERT (0.40) MAPTPOLBPLA2G7
SCHEMBL16676923 0.75 TERT (0.39) LMNAMAPTPLA2G7CHRM2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055414-A1 N-HALAMINES COMPOUNDS AS MULTIFUNCTIONAL ADDITIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-02-21 US claimed
US-10138379-B2 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-27 US claimed
US-20150166796-A1 N-Halamines Compounds as Multifunctional Additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-06-18 US claimed
CN-101528035-A Solid biocidal composition and sealed biocidal article SANDERSON WILLIAM D (US) 2009-09-09 CN claimed
US-20070062884-A1 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-22 US claimed
CN-101528035-A Solid biocidal composition and sealed biocidal article SANDERSON WILLIAM D (US) 2009-09-09 CN 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-20150166796-A1 N-Halamines Compounds as Multifunctional Additives NIT2, AAAS, NACA ELANE 40/4885F2 3801/4885CTSG 1120/4885
US-10138379-B2 N-halamines compounds as multifunctional additives NIT2, AAAS, NACA ELANE 40/4885F2 3801/4885CTSG 1120/4885

“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.