SCHEMBL1443940

SCHEMBL1443940

Fc1ccc(-c2ccccc2C(Cl)c2ccccc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CASP3 P42574 2/20 0.37
NPC1 O15118 1/20 0.37
MAOB P27338 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NR4A2 P43354 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
MAPK14 Q16539 2/20 0.35
HTR7 P34969 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL3406218 0.80 IDO1 (0.42) MAPTALDH1A1SLC6A4IDO1TDO2
SCHEMBL1443906 0.79 SLC6A4 (0.39) PTGS2PTGS1MAPTALDH1A1CASP3
SCHEMBL10596765 0.77 IDO1 (0.39) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1443480 0.75 ALDH1A1 (0.38) PTGS2PTGS1ALDH1A1SMN1; SMN2SLC6A4
SCHEMBL533630 0.74 PTGS2 (0.50) PTGS2PTGS1MAPTALDH1A1SLC6A4
SCHEMBL13006374 0.73 CA12 (0.56) PTGS2PTGS1MAPTALDH1A1CASP3
Chloromethane SCHEMBL29088511 0.72 PTGS2 (0.50) PTGS2PTGS1MAPTALDH1A1NPC1
SCHEMBL1443967 0.72 HDAC4 (0.41) PTGS2PTGS1MAPTALDH1A1SLC6A4
Methylene Chloride SCHEMBL28982655 0.71 ALDH1A1 (0.49) PTGS2PTGS1MAPTALDH1A1SLC6A4
SCHEMBL1446564 0.71 TSHR (0.41) MAPTALDH1A1SLC6A4SLC6A3L3MBTL1

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 PTGS2 667/4885PTGS1 102/4885MAPT 3171/4885
US-20090036538-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS KCNH3, KCNH2, KCNJ2 PTGS2 667/4885PTGS1 102/4885MAPT 3171/4885
US-20100056637-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS LTC4S, LTB4R2, CYSLTR2 PTGS2 33/4885PTGS1 34/4885MAPT 2789/4885

“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.