SCHEMBL919296

SCHEMBL919296

C[N]CCCCCc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
ADRA2A P08913 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
TSHR P16473 2/20 0.46
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
NPC1 O15118 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL920770 0.98 TAAR1 (0.53) TAAR1ADRA2AADRA2BADRA2CTSHR
SCHEMBL919357 0.92 TAAR1 (0.55) TAAR1ADRA2AADRA2BADRA2CTSHR
SCHEMBL921584 0.86
SCHEMBL7116263 0.84 TAAR1 (0.70) TAAR1ADRA2AADRA2BADRA2CTSHR
SCHEMBL6734915 0.84 TAAR1 (0.70) TAAR1ADRA2AADRA2BADRA2CTSHR
SCHEMBL8571535 0.84 TAAR1 (0.70) TAAR1ADRA2AADRA2BADRA2CTSHR
SCHEMBL20146704 0.82 TAAR1 (0.73) TAAR1ADRA2AADRA2BADRA2CTSHR
SCHEMBL2734280 0.79 TAAR1 (0.57) TAAR1ADRA2AADRA2BADRA2CTSHR
SCHEMBL272288 0.79 TAAR1 (0.57) TAAR1ADRA2AADRA2BADRA2CTSHR
SCHEMBL271466 0.79 TAAR1 (0.57) TAAR1ADRA2AADRA2BADRA2CTSHR

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-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX TAAR1 3001/4885ADRA2A 4055/4885ADRA2B 4357/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 TAAR1 2785/4885ADRA2A 4392/4885ADRA2B 4397/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TAAR1 1429/4885ADRA2A 3572/4885ADRA2B 3382/4885

“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.