SCHEMBL921313

SCHEMBL921313

NCc1ccc(Oc2ccccc2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.49
LOX P28300 1/20 0.47
TTR P02766 2/20 0.47
HRH1 P35367 1/20 0.46
ST14 Q9Y5Y6 1/20 0.44
DPP4 P27487 1/20 0.44
AKT1 P31749 1/20 0.43
RPS6KA1 Q15418 1/20 0.43
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
PPARD Q03181 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL920863 0.86 LOXL2 (0.53) LOXL2LOXTTRHRH1ST14
SCHEMBL12238998 0.83 ROCK2 (0.51) ROCK2ROCK1ST14AKT1RPS6KA1
SCHEMBL758255 0.83 ROCK2 (0.51) ROCK2ROCK1ST14AKT1RPS6KA1
SCHEMBL8405400 0.83 TTR (0.47) TTRHTR2ASLC6A4PPARD
SCHEMBL27689500 0.83 TTR (0.47) TTRHTR2ASLC6A4PPARD
SCHEMBL11990069 0.83 TTR (0.47) TTRHTR2ASLC6A4PPARD
SCHEMBL13218236 0.83 TTR (0.70) TTRHTR2ASLC6A4PPARD
SCHEMBL14662168 0.81 ROCK2 (0.55) ROCK2ROCK1ST14AKT1RPS6KA1
SCHEMBL27824700 0.81 PPARD (0.49) TTRHTR2ASLC6A4PPARDMAOB
SCHEMBL875921 0.81 MAOB (0.50) ROCK2ROCK1LOXL2LOXAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
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
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
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
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
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 WO disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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 (2 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB ROCK2 2616/4885ROCK1 1241/4885LOXL2 3469/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ROCK2 3686/4885ROCK1 2455/4885LOXL2 2606/4885

“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.