SCHEMBL919486

SCHEMBL919486

CCCC([N]C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.46
AOC3 Q16853 2/20 0.43
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
LMNA P02545 1/20 0.40
HRH1 P35367 6/20 0.38
HTR2A P28223 5/20 0.38
SIGMAR1 Q99720 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
RIPK1 Q13546 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL920068 0.88 MIF (0.43) MIFAOC3NOS3NOS2LMNA
SCHEMBL2404477 0.82 MIF (0.59) MIFAOC3NOS3NOS2LMNA
SCHEMBL919175 0.82 MIF (0.59) MIFAOC3NOS3NOS2LMNA
SCHEMBL11174381 0.81 HRH1 (0.56) MIFNOS3NOS2HRH1HTR2A
SCHEMBL25585714 0.81 MIF (0.44) MIFAOC3NOS3NOS2LMNA
SCHEMBL15995275 0.78 L3MBTL1 (0.45) MIFAOC3NOS3NOS2LMNA
SCHEMBL21806661 0.78 L3MBTL1 (0.45) MIFAOC3NOS3NOS2LMNA
SCHEMBL25203174 0.76 CYP2C19 (0.59) MIFAOC3NOS3NOS2LMNA
SCHEMBL1526826 0.76 MIF (0.73) MIFAOC3NOS3NOS2LMNA
SCHEMBL6744506 0.76 MIF (0.49) MIFAOC3NOS3NOS2LMNA

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 MIF 3317/4885AOC3 2325/4885NOS3 1026/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MIF 4024/4885AOC3 1489/4885NOS3 263/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 MIF 4568/4885AOC3 1988/4885NOS3 920/4885

“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.