SCHEMBL921091

SCHEMBL921091

Cc1cc(Cl)c(Oc2ccc(C#N)cc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.51
MERTK Q12866 1/20 0.50
SCN9A Q15858 1/20 0.46
KCNH2 Q12809 4/20 0.45
SLC6A4 P31645 4/20 0.45
HTR2A P28223 3/20 0.45
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
FFAR1 O14842 1/20 0.43
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ERBB3 P21860 1/20 0.40
ERBB4 Q15303 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL8545187 0.86 MERTK (0.55) ARMERTKSCN9AKCNH2SLC6A4
SCHEMBL17052857 0.85 AR (0.55) ARMERTKSCN9AKCNH2SLC6A4
SCHEMBL13875516 0.80 AR (0.62) ARMERTKKCNH2SLC6A4HTR2A
SCHEMBL8546657 0.79 MERTK (0.52) ARMERTKSCN9AKCNH2SLC6A4
SCHEMBL2788214 0.79 AR (0.55) ARMERTKSCN9AKCNH2SLC6A4
SCHEMBL9889460 0.78 HTR2A (0.46) ARMERTKKCNH2SLC6A4HTR2A
SCHEMBL11649803 0.78 SLC6A4 (0.57) ARMERTKKCNH2SLC6A4HTR2A
SCHEMBL922684 0.78 AR (0.58) ARMERTKSCN9ASLC6A4CYP11B1
SCHEMBL932130 0.77 HTR2A (0.42) ARKCNH2SLC6A4HTR2AALDH1A1
SCHEMBL923625 0.76 PARP15 (0.45) ARMERTKKCNH2SLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN 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

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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 AR 4285/4885MERTK 1943/4885SCN9A 1203/4885

“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.