SCHEMBL5045220

SCHEMBL5045220

CNCCc1ccc(Cl)nc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.57
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PLK1 P53350 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL34465762 0.83 CHRNB2 (0.43) TAAR1CHRNB2CHRNA4KDM4EGAA
SCHEMBL25804595 0.82 GAA (0.49) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL8372045 0.80 KDM4E (0.51) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL13232446 0.80 PLK1 (0.47) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL29609117 0.80 KDM4E (0.59) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL2125695 0.80 KDM4E (0.59) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL12140714 0.78 GAA (0.58) TAAR1KDM4EGAAMAPTTMEM97
Hydrochloric Acid SCHEMBL5128680 0.78 KDM4E (0.58) CHRNB2CHRNA4KDM4EGAAMAPT
SCHEMBL6788044 0.78 ALDH1A1 (0.49) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL255686 0.78 KDM4E (0.56) KDM4EMAPTATMALDH1A1SMN1; SMN2

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-2481731-B1 Insecticidal (1,3,5)-triazinyl phenyl hydrazones DOW AGROSCIENCES LLC (US) 2013-10-23 EP disclosed
EP-2197857-B1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2013-03-06 EP disclosed
EP-2481731-A1 Insecticidal (1,3,5)-triazinyl phenyl hydrazones Dow AgroSciences LLC (US) 2012-08-01 EP disclosed
EP-2481730-A1 Insecticidal (1,3,5)-triazinyl phenyl hydrazones Dow AgroSciences LLC (US) 2012-08-01 EP disclosed
US-8188273-B2 Insecticidal (1,3,5)-triazinyl phenyl hydrazones DOW AGROSCIENCES, LLC. (US) 2012-05-29 US disclosed
US-20120040837-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2012-02-16 US disclosed
US-8067588-B2 Insecticidal (1,3,5)-triazinyl phenyl hydrazones DOW AGROSCIENCES LLC (US) 2011-11-29 US disclosed
WO-2009048750-A2 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2009-04-16 WO disclosed
US-20090093481-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2009-04-09 US disclosed
US-7345038-B2 Pyridyloxymethyl and benzisoxazole azabicyclic derivatives PFIZER, INC (US) 2008-03-18 US disclosed
EP-1608648-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES Pfizer Products Inc. (US) 2005-12-28 EP disclosed
US-20050026922-A1 For treating CNS or other disorders, including concurrent treatment of disorders such as schizophrenia and depression; side effect reduction; for example, (7R,9aS)-trans-7-[6-(2,6-Dimethyl-piperidin-1-ylmethyl)-pyridin-2-yloxymethyl]-2-(5-fluoro-benzo[d]isoxazol-3-yl)-octahydro-pyrido[1,2-a]pyrazine PFIZER INC 2005-02-03 US disclosed
WO-2004081007-A1 PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-09-23 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-20090093481-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES HELZ, API5, CRYZ TAAR1 2144/4885CHRNB2 2344/4885CHRNA4 1752/4885
US-20120040837-A1 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES HELZ, API5, CRYZ TAAR1 2144/4885CHRNB2 2344/4885CHRNA4 1752/4885
US-20050026922-A1 For treating CNS or other disorders, including concurrent treatment of disorders such as schizophrenia and depression; side effect reduction; for example, (7R,9aS)-trans-7-[6-(2,6-Dimethyl-piperidin-1-ylmethyl)-pyridin-2-yloxymethyl]-2-(5-fluoro-benzo[d]isoxazol-3-yl)-octahydro-pyrido[1,2-a]pyrazine GRM7, GRIN2C, HTR7 TAAR1 230/4885CHRNB2 116/4885CHRNA4 59/4885

“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.