SCHEMBL15901623

SCHEMBL15901623

C=Cc1ccc(C[n+]2ccn(CCCCCCCCCCCC)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MEN1 O00255 2/20 0.47
HSP90AA1 P07900 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
APAF1 O14727 1/20 0.44
NPC1 O15118 1/20 0.44
PLA2G1B P04054 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
PON1 P27169 1/20 0.41
FDPS P14324 16/20 0.41

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
SCHEMBL21273983 1.00 CA1 (0.57) CA1CA2MEN1HSP90AA1KMT2A
SCHEMBL14720499 0.95 CA1 (0.50) CA1CA2MEN1HSP90AA1KMT2A
Bromide SCHEMBL28649627 0.94 CA1 (0.49) CA1CA2MEN1HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL16894026 0.94 CA1 (0.52) CA1CA2MEN1HSP90AA1KMT2A
SCHEMBL20538877 0.90 CA1 (0.46) CA1CA2MEN1HSP90AA1KMT2A
SCHEMBL789900 0.90 CA1 (0.46) CA1CA2MEN1HSP90AA1KMT2A
Trifluoromethanesulfonamide SCHEMBL27200566 0.88 CA1 (0.47) CA1CA2MEN1HSP90AA1KMT2A
SCHEMBL28928505 0.84 CA1 (0.39) CA1CA2MEN1KMT2AMAPT
SCHEMBL11938826 0.84 CA1 (0.42) CA1CA2MEN1KMT2AMAPT
Trifluoromethanesulfonamide SCHEMBL4421479 0.83 CA1 (0.41) CA1CA2MEN1HSP90AA1KMT2A

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-9131692-B2 Antibacterial imidazolium compound and antibacterial photocurable thiol-ene compositions comprising the same, and antibacterial polymer coatins prepared therefrom KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-09-15 US claimed
US-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-31 US claimed
US-9131692-B2 Antibacterial imidazolium compound and antibacterial photocurable thiol-ene compositions comprising the same, and antibacterial polymer coatins prepared therefrom KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-09-15 US disclosed
US-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-31 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 (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-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM WASF2, MACF1, ETF1 CA1 4301/4885CA2 2867/4885MEN1 3191/4885

“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.