SCHEMBL2287346

SCHEMBL2287346

Cc1cc(CN(C)C)cc(COc2c(C)cccc2C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 3/20 0.38
MAPK14 Q16539 3/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CCR5 P51681 1/20 0.34
SCN4A P35499 4/20 0.33
CYP2C9 P11712 2/20 0.33
LMNA P02545 2/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL2293620 0.83 THRA (0.39) HRH3TSHRMAPK14THRATHRB
SCHEMBL2289821 0.80 TSHR (0.39) TSHRTHRATHRBSLC6A4SLC6A2
SCHEMBL2291322 0.79 THRA (0.41) TSHRTHRATHRBSLC6A4SCN4A
SCHEMBL3154292 0.77 HTR7 (0.37) TSHRMAPK14THRATHRBSLC6A4
SCHEMBL2291408 0.75 SCN8A (0.40) TSHRTHRATHRBSLC6A4SCN4A
SCHEMBL2289742 0.75 TSHR (0.39) TSHRMAPK14LMNASCN8AMAOA
SCHEMBL2287413 0.74 CYP2C9 (0.42) HRH3TSHRTHRBCYP2C9LMNA
SCHEMBL2287342 0.73 SCN4A (0.37) TSHRMAPK14THRATHRBSLC6A4
SCHEMBL2295209 0.72 ALDH1A1 (0.38) TSHRTHRATHRBSLC6A4SCN4A
SCHEMBL2294677 0.71 BCHE (0.41) HRH3TSHRTHRATHRBCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20110172175-A1 PROCESS AND COMPOSITION FOR COATING PROPAGATION MATERIAL SYNGENTA CROP PROTECTION, INC. (US) 2011-07-14 US disclosed
CN-1946294-B Pesticidal compositions and methods for seed treatment SYNGENTA PARTCIPATIONS AG 2011-07-13 CN disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
CN-101653130-A Pesticidal composition and method for seed treatment SYNGENTA PARTICIPATIONS AG CH 2010-02-24 CN disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 EP disclosed
EP-1865769-A2 PROCESS AND COMPOSITION FOR COATING PROPAGATION MATERIAL Syngeta Participations AG (CH) 2007-12-19 EP disclosed
US-20070213225-A1 PESTICIDAL COMPOSITION AND METHOD FOR FUNGAL CONTROL SYNGENTA CROP PROTECTION, INC. (US) 2007-09-13 US disclosed
US-7217681-B2 Pesticidal composition and method for fungal control SYNGENTA CROP PROTECTION, INC. (US) 2007-05-15 US disclosed
CN-1946294-A Pesticidal compositions and methods for seed treatment SYNGENTA PARTCIPATIONS AG (CH) 2007-04-11 CN disclosed
EP-1727427-A2 PESTICIDAL COMPOSITION AND METHOD FOR SEED TREATMENT Syngenta Participations AG (CH) 2006-12-06 EP disclosed
WO-2006060272-A2 PROCESS AND COMPOSITION FOR COATING PROPAGATION MATERIAL SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO disclosed
WO-2005094155-A2 PESTICIDAL COMPOSITION AND METHOD FOR SEED TREATMENT SYNGENTA PARTICIPATIONS AG (CH) 2005-10-13 WO disclosed
US-20050209304-A1 Pesticidal composition and method for fungal control SYNGENTA CROP PROTECTION AG (CH) 2005-09-22 US 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-20070213225-A1 PESTICIDAL COMPOSITION AND METHOD FOR FUNGAL CONTROL PNN, TUBA3C, MLN HRH3 1972/4885TSHR 4232/4885MAPK14 2737/4885
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 HRH3 287/4885TSHR 4005/4885MAPK14 4512/4885
US-20050209304-A1 Pesticidal composition and method for fungal control PNN, TUBA3C, MLN HRH3 1972/4885TSHR 4232/4885MAPK14 2737/4885

“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.