SCHEMBL3365482

SCHEMBL3365482

N#Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.70
SLC6A3 Q01959 3/20 0.70
SLC6A2 P23975 2/20 0.70
NR1I2 O75469 1/20 0.70
LMNA P02545 1/20 0.70
PGR P06401 1/20 0.70
HSP90AA1 P07900 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
MAPT P10636 1/20 0.70
HSPA5 P11021 1/20 0.70
HPGD P15428 1/20 0.70
CBR1 P16152 1/20 0.70
TBXA2R P21731 1/20 0.70
AGTR1 P30556 1/20 0.70
SLC6A4 P31645 3/20 0.60
KCNH2 Q12809 1/20 0.60
AR P10275 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.49

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
SCHEMBL14861480 0.89 TTR (0.54) TTRSLC6A3SLC6A2NR1I2LMNA
SCHEMBL14861293 0.86 TTR (0.58) TTRSLC6A3SLC6A2NR1I2LMNA
Triclosan SCHEMBL28609471 0.85 TTR (0.96) TTRSLC6A3SLC6A2NR1I2LMNA
Triclosan SCHEMBL29356111 0.83 TTR (1.00) TTRSLC6A3SLC6A2NR1I2LMNA
Triclosan SCHEMBL29354475 0.83 TTR (1.00) TTRSLC6A3SLC6A2NR1I2LMNA
Triclosan SCHEMBL3269 0.83 TTR (1.00) TTRSLC6A3SLC6A2NR1I2LMNA
Triclosan SCHEMBL526378 0.83 TTR (1.00) TTRSLC6A3SLC6A2NR1I2LMNA
Triclosan SCHEMBL29367506 0.83 TTR (1.00) TTRSLC6A3SLC6A2NR1I2LMNA
SCHEMBL20554635 0.83 TBXA2R (0.50) TTRSLC6A3SLC6A2NR1I2LMNA
Triclosan SCHEMBL8975439 0.81 TTR (0.96) TTRSLC6A3SLC6A2NR1I2LMNA

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-7705047-B2 Amidoacetonitrile derivatives NOVARTIS AG (CH) 2010-04-27 US disclosed
EP-1706373-B8 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2010-01-06 EP disclosed
EP-1706373-B1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2009-11-18 EP disclosed
US-20070037881-A1 N-[1-cyano-1-methyl-2-(5-cyano-2-{2,4-dichlorophenoxy}-phenoxy)-ethyl]-4-trifluoromethoxybenzamide; etherification with a cyano-halobenzene in the presence of a basic catalyst; parasiticides, especially antihelmintics; veterinary medicine ELANCO TIERGESUNDHEIT AG (CH) 2007-02-15 US disclosed
EP-1706373-A1 AMIDOACETONITRILE DERIVATIVES Novartis AG (CH) 2006-10-04 EP disclosed
WO-2005058802-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-06-30 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 (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-20070037881-A1 N-[1-cyano-1-methyl-2-(5-cyano-2-{2,4-dichlorophenoxy}-phenoxy)-ethyl]-4-trifluoromethoxybenzamide; etherification with a cyano-halobenzene in the presence of a basic catalyst; parasiticides, especially antihelmintics; veterinary medicine CMA1, H1-2, H1-0 TTR 2833/4885SLC6A3 3589/4885SLC6A2 985/4885

“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.