SCHEMBL1443480

SCHEMBL1443480

N#CC(c1ccccc1F)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
ALPG P10696 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 2/20 0.36
SQOR Q9Y6N5 2/20 0.35
ACHE P22303 1/20 0.33
SLC6A4 P31645 1/20 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
SCHEMBL1507854 0.80 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2HPGDALPG
SCHEMBL1443906 0.75 SLC6A4 (0.39) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL1443940 0.75 PTGS2 (0.39) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL10708532 0.73 NFE2L2 (0.42) ALDH1A1LMNASMN1; SMN2HPGDMEN1
SCHEMBL29031381 0.73 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2HPGDALPG
SCHEMBL533630 0.70 PTGS2 (0.50) ALDH1A1NPSR1PTGS2PTGS1SLC6A4
SCHEMBL16142244 0.70 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HPGDALPG
SCHEMBL13006374 0.70 CA12 (0.56) ALDH1A1SMN1; SMN2PTGS2PTGS1SLC6A4
SCHEMBL1443967 0.69 HDAC4 (0.41) ALDH1A1NPSR1GAAPTGS2PTGS1
SCHEMBL27782003 0.67 TRPA1 (0.50) ALDH1A1NPSR1MEN1GAAGFER

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 ALDH1A1 3554/4885LMNA 2633/4885SMN1; SMN2 430/4885
US-20090036538-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS KCNH3, KCNH2, KCNJ2 ALDH1A1 3554/4885LMNA 2633/4885SMN1; SMN2 430/4885
US-20100056637-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS LTC4S, LTB4R2, CYSLTR2 ALDH1A1 1201/4885LMNA 2539/4885SMN1; SMN2 3416/4885

“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.