SCHEMBL16674697

SCHEMBL16674697

CN1C(=O)N(CCC[N+](C)(C)CCCN2C(=O)N(C)C(C)(C)C2=O)C(=O)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.44
CHRM2 P08172 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL16674694 0.93 PLA2G7 (0.40) PLA2G7CHRM2MEN1CYP1A2CYP2C19
SCHEMBL16674699 0.89 MEN1 (0.47) PLA2G7MEN1KMT2A
SCHEMBL16674707 0.87 PLA2G7 (0.36) PLA2G7CHRM2MEN1CYP1A2CYP2C19
SCHEMBL16674695 0.81 PLA2G7 (0.46) PLA2G7MEN1KMT2A
SCHEMBL7968322 0.79 PLA2G7 (0.47) PLA2G7
SCHEMBL6946605 0.77 PLA2G7 (0.46) PLA2G7
SCHEMBL11272468 0.77 MGLL (0.47) PLA2G7
SCHEMBL16674703 0.76 HSP90AB1 (0.39) PLA2G7
SCHEMBL1593903 0.76 PLA2G7 (0.45) PLA2G7
SCHEMBL16674696 0.75 HSP90AB1 (0.33) PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086740-A1 BIOCIDAL COATINGS AND METHODS FOR MAKING SAME EXIGENCE TECH INC (CA) 2018-03-29 US disclosed
US-20170204085-A1 BIOCIDAL COATINGS AND METHODS FOR MAKING SAME EXIGENCE TECHNOLOGIES INC. (CA) 2017-07-20 US disclosed
US-20150118179-A1 BIOCIDAL COMPOUNDS AND METHODS FOR USING SAME UNIVERSITY OF MANITOBA (CA) 2015-04-30 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 (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-20170204085-A1 BIOCIDAL COATINGS AND METHODS FOR MAKING SAME MPO, HNMT, TYR PLA2G7 2186/4885CHRM2 2192/4885MEN1 1825/4885
US-20150118179-A1 BIOCIDAL COMPOUNDS AND METHODS FOR USING SAME NQO2, DLAT, TYR PLA2G7 3664/4885CHRM2 597/4885MEN1 3108/4885
US-20180086740-A1 BIOCIDAL COATINGS AND METHODS FOR MAKING SAME BCHE, NHERF1, HCN3 PLA2G7 2335/4885CHRM2 1293/4885MEN1 2649/4885

“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.