SCHEMBL3367496

SCHEMBL3367496

CC(=O)O[I+](c1ccc2ccc(=O)oc2c1)c1ccc2oc3ccccc3c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAOA P21397 4/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
TTR P02766 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3519720 0.90 NPC1 (0.58) NPC1RAB9AMEN1KMT2AMAOA
SCHEMBL3371211 0.85 CA9 (0.57) MEN1KMT2ACA12CA9POLB
SCHEMBL3371686 0.81 TTR (0.37) NPC1RAB9AMEN1KMT2AMAOA
SCHEMBL3369447 0.81 TTR (0.37) NPC1RAB9AMEN1KMT2AMAOA
SCHEMBL3370925 0.79 MAOB (0.49) NPC1RAB9AMEN1KMT2AMAOA
SCHEMBL3367716 0.78 NPC1 (0.40) NPC1RAB9AMEN1KMT2AMAOA
SCHEMBL3368449 0.78 CA12 (0.45) NPC1RAB9AMEN1KMT2AMAOA
SCHEMBL3367854 0.76 NPC1 (0.38) NPC1RAB9AMEN1KMT2AMAOA
SCHEMBL3370783 0.76 MAOB (0.41) NPC1RAB9AMEN1KMT2AMAOA
SCHEMBL3371703 0.74 NPC1 (0.36) NPC1RAB9AMEN1KMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
EP-1953149-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 EP disclosed
EP-1953149-A2 A heterocycle-containing onium salt Wako Pure Chemical Industries, Ltd. (JP) 2008-08-06 EP disclosed
US-20080161520-A1 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-03 US disclosed
US-7318991-B2 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-15 US disclosed
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 2005-10-20 US disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP 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-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether NOX4, CBR1, CBR3 NPC1 3094/4885RAB9A 2293/4885MEN1 1499/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA NPC1 4804/4885RAB9A 2850/4885MEN1 417/4885

“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.