SCHEMBL1798367

SCHEMBL1798367

OCCCNCc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
OXTR P30559 1/20 0.50
AVPR1A P37288 1/20 0.50
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.45
CHRM2 P08172 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLK1 P53350 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDCD1 Q15116 3/20 0.42
CD274 Q9NZQ7 3/20 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
SCHEMBL1633762 0.90 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL29777000 0.90 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL1797036 0.86 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL28412589 0.84 OXTR (0.48) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL6444346 0.83 KDM4E (0.60) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL5833308 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL501967 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL7992477 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL4854056 0.83 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
Hydrochloric Acid SCHEMBL7504260 0.82 OXTR (0.49) KDM4EGAAMAPTL3MBTL1OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021344-B1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-05-08 EP disclosed
US-7951951-B2 Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG (DE) 2011-05-31 US disclosed
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-07-16 US disclosed
EP-2021344-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS Bayer CropScience AG (DE) 2009-02-11 EP disclosed
WO-2007115647-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US 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-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS TARS2, TBCA, DDT KDM4E 2019/4885GAA 3438/4885MAPT 1768/4885

“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.