SCHEMBL1443906

SCHEMBL1443906

OC(c1ccccc1F)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR4A2 P43354 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 1/20 0.35
HTR7 P34969 1/20 0.35
NPC1 O15118 1/20 0.34
MAOB P27338 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL30057873 0.80 CES2 (0.52) CES2CES1NPSR1MAPTALDH1A1
SCHEMBL1902230 0.80 CES2 (0.52) CES2CES1NPSR1MAPTALDH1A1
SCHEMBL1443940 0.79 PTGS2 (0.39) SLC6A4SLC6A3PTGS2PTGS1NPSR1
SCHEMBL8074696 0.79 KMT2A (0.46) SLC6A4SLC6A3PTGS2PTGS1MAPT
SCHEMBL16409728 0.78 SLC6A4 (0.45) SLC6A4SLC6A3PTGS2PTGS1NPSR1
SCHEMBL16731883 0.78 SLC6A4 (0.45) SLC6A4SLC6A3PTGS2PTGS1NPSR1
SCHEMBL30986702 0.77 CES2 (0.43) SLC6A4SLC6A3CES2CES1MAPT
SCHEMBL30910940 0.77 CES2 (0.43) SLC6A4SLC6A3CES2CES1MAPT
SCHEMBL6566037 0.77 CES2 (0.43) SLC6A4SLC6A3CES2CES1MAPT
SCHEMBL14471688 0.76 BACE1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034860-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2011-03-24 WO disclosed
US-20100056637-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2010-03-04 US disclosed
US-20090036538-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2009-02-05 US disclosed
EP-1968563-A2 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS Icagen, Inc. (US) 2008-09-17 EP disclosed
EP-1158971-B1 GARDOS CHANNEL ANTAGONISTS ICAGEN INC (US) 2007-08-22 EP disclosed
US-20070185209-A1 Treatment methods using triaryl methane compounds ICAGEN, INC. (US) 2007-08-09 US disclosed
WO-2007075849-A2 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2007-07-05 WO disclosed
EP-1158971-A4 GARDOS CHANNEL ANTAGONISTS ICAGEN INC (US) 2003-04-16 EP disclosed
EP-1158971-A1 GARDOS CHANNEL ANTAGONISTS Icagen, Inc. (US) 2001-12-05 EP disclosed
US-6288122-B1 A TRIPHENYL ACETAMIDE ICAGEN, INC. 2001-09-11 US disclosed
WO-2000050026-A1 GARDOS CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2000-08-31 WO 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-20070185209-A1 Treatment methods using triaryl methane compounds KCNH3, KCNH2, KCNJ2 SLC6A4 1449/4885SLC6A3 2296/4885PTGS2 667/4885
US-20090036538-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS KCNH3, KCNH2, KCNJ2 SLC6A4 1449/4885SLC6A3 2296/4885PTGS2 667/4885
US-20100056637-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS LTC4S, LTB4R2, CYSLTR2 SLC6A4 3919/4885SLC6A3 4792/4885PTGS2 33/4885

“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.