SCHEMBL3522256

SCHEMBL3522256

S=c1c2ccccc2oc2ccc([S+](c3ccccc3)c3ccccc3)cc12.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TTR P02766 1/20 0.31
CYP3A4 P08684 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
CA12 O43570 1/20 0.31
TNKS O95271 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
ABCB1 P08183 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL3521004 0.92 MAOB (0.39) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL5125869 0.92 NPC1 (0.39) NPC1RAB9AHPGDSMN1; SMN2KDM4E
Bromide SCHEMBL3519084 0.90 NPC1 (0.38) NPC1RAB9AHPGDSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3525780 0.90 NPC1 (0.38) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL3519972 0.89 HPGD (0.35) NPC1RAB9AHPGDSMN1; SMN2KDM4E
Perchlorate SCHEMBL3519047 0.86 MAPT (0.35) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL3525247 0.86 CYP1A1 (0.32) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL3525762 0.84 TTR (0.49) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL3520592 0.83 SMN1; SMN2 (0.37) NPC1RAB9AHPGDSMN1; SMN2KDM4E
Acetic Acid SCHEMBL3518350 0.83 NPC1 (0.41) NPC1RAB9AHPGDKDM4EALDH1A1

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-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
EP-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 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

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 2293/4885HPGD 1227/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA NPC1 4804/4885RAB9A 2850/4885HPGD 487/4885

“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.