SCHEMBL3522172

SCHEMBL3522172

O=c1c2ccccc2oc2ccc(S(OS(=O)(=O)c3ccc(F)cc3F)(c3ccccc3)c3ccccc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MAOA P21397 4/20 0.39
TTR P02766 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PGAM1 P18669 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL3519151 0.88 NPC1 (0.45) NPC1RAB9AL3MBTL1POLBMAOA
SCHEMBL3520323 0.84 NPC1 (0.50) NPC1RAB9AL3MBTL1POLBMAOA
SCHEMBL3524252 0.83 NPC1 (0.44) NPC1RAB9AL3MBTL1POLBMAOA
SCHEMBL2537987 0.80 HTR2A (0.41) MEN1KMT2AALDH1A1AKR1B1
SCHEMBL3519756 0.79 MAOA (0.46) NPC1RAB9AL3MBTL1POLBMAOA
SCHEMBL3523582 0.79 NPC1 (0.47) NPC1RAB9AL3MBTL1POLBMAOA
SCHEMBL3524084 0.79 NPC1 (0.43) NPC1RAB9AL3MBTL1POLBMAOA
SCHEMBL3521367 0.79 MAOB (0.48) NPC1POLBMAOAMEN1KMT2A
SCHEMBL3525748 0.78 NPC1 (0.42) NPC1RAB9AL3MBTL1POLBMAOA
SCHEMBL3520949 0.77 MAOA (0.48) NPC1RAB9AL3MBTL1POLBMAOA

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 5 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
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 (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-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA NPC1 4804/4885RAB9A 2850/4885L3MBTL1 4495/4885

“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.