SCHEMBL1437459

SCHEMBL1437459

Cc1cc(OCC#N)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
FFAR4 Q5NUL3 1/20 0.49
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.46
FFAR1 O14842 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL1437002 0.94 MAOB (0.56) MAOBFFAR4PPARGPPARDMRGPRX4
SCHEMBL1439758 0.86 PPARD (0.58) MAOBFFAR4PPARGPPARDMRGPRX4
SCHEMBL5206833 0.83 MAOB (0.52) MAOBL3MBTL1MAPTALOX5GAA
SCHEMBL1436935 0.80 MAOB (0.70) MAOBL3MBTL1MAPTALOX5KDM4E
SCHEMBL17223747 0.79 ALDH1A1 (0.48) MAOBL3MBTL1MAPTTDP1KDM4E
SCHEMBL6206320 0.78 FFAR4 (0.50) MAOBFFAR4PPARGPPARDMRGPRX4
SCHEMBL5206375 0.78 AR (0.52) MAOBMAPTMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL27830190 0.78 MAOB (0.57) MAOBFFAR4PPARGPPARDMRGPRX4
SCHEMBL12459903 0.78 PPARG (0.53) MAOBFFAR4PPARGPPARDFFAR1
SCHEMBL25081934 0.78 MAPT (0.64) MAOBFFAR4MRGPRX4L3MBTL1MAPT

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
CN-102791135-B Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES LLC 2015-05-20 CN disclosed
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 US disclosed
EP-2521452-B1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2014-12-24 EP disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
EP-2521452-A1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS Dow AgroSciences LLC (US) 2012-11-14 EP disclosed
EP-2473511-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS Dow AgroSciences LLC (US) 2012-07-11 EP disclosed
WO-2011085084-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-07-14 WO disclosed
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC 2011-07-07 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
WO-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 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-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 MAOB 385/4885FFAR4 2269/4885PPARG 1126/4885
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DPYD, TYMS, TYMP MAOB 1831/4885FFAR4 1372/4885PPARG 107/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO MAOB 421/4885FFAR4 3435/4885PPARG 210/4885

“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.