SCHEMBL676675

SCHEMBL676675

COc1nccc(C)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL9846269 0.81 ALDH1A1 (0.67) GAAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL441301 0.79 MAPK1 (0.51) GAAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL30449816 0.79 MAPK1 (0.51) GAAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL768031 0.79 ALDH1A1 (0.45) RECQLGAAALDH1A1MAPK1L3MBTL1
SCHEMBL767714 0.79 KMT2A (0.47) RECQLGAAALDH1A1MAPK1L3MBTL1
SCHEMBL31728806 0.79 ALDH1A1 (0.45) GAAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL767808 0.79 ALDH1A1 (0.45) RECQLGAAALDH1A1MAPK1L3MBTL1
SCHEMBL19839131 0.78 ALDH1A1 (0.71) GAAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL31437468 0.77 ALDH1A1 (0.43) RECQLGAAALDH1A1MAPK1L3MBTL1
SCHEMBL13469217 0.77 ALDH1A1 (0.43) RECQLGAAALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN claimed
EP-3169662-B1 SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA (JP) 2017-07-06 US disclosed
US-9655362-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2017-05-23 US disclosed
EP-1679003-B1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA (JP) 2015-04-15 EP disclosed
US-8653277-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8653113-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8609150-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-12-17 US disclosed
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-05-31 US disclosed
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-11-17 US disclosed
EP-2338335-A1 Preparation of fungicidal benzoylpyridine derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-06-29 EP disclosed
US-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-01 US disclosed
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-08-31 US disclosed
EP-1679003-A1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-12 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 (5 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-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CBR1, CNPY2 RECQL 1285/4885GAA 2106/4885ALDH1A1 1897/4885
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH RECQL 985/4885GAA 1869/4885ALDH1A1 1250/4885
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH RECQL 985/4885GAA 1869/4885ALDH1A1 1250/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH RECQL 985/4885GAA 1869/4885ALDH1A1 1250/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH RECQL 985/4885GAA 1869/4885ALDH1A1 1250/4885

“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.