SCHEMBL5175178

SCHEMBL5175178

CCCCCc1ccno1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
CYP19A1 P11511 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 2/20 0.39
PPARA Q07869 2/20 0.37
MAPT P10636 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL31287865 0.98 KCNH2 (0.42) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL4473252 0.94
SCHEMBL25543688 0.74 LMNA (0.37) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL20210119 0.73 CTSK (0.37) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL27949105 0.73 CTSK (0.37) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL21186379 0.72 PRSS1 (0.38) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL16068283 0.71
SCHEMBL358647 0.71
SCHEMBL3394938 0.70 EPHX2 (0.54) KCNH2MAPTESR1ADRA2AADORA3
SCHEMBL3924849 0.69 EPHX2 (0.57) KCNH2MAPTESR1ADRA2AADORA3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP claimed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP claimed
JP-5186440-A None JP disclosed
CN-106432216-B The preparation method and application of the pyrazol acid amide compounds of the isoxazole structure of aryl containing 5- 南通大学 2019-09-20 CN disclosed
EP-2944636-B1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-09-04 EP disclosed
CN-106432216-A Preparation method and application of pyrazol amide compound containing 5-aryl isoxazole structure 南通大学 2017-02-22 CN disclosed
CN-106432216-A Preparation method and application of pyrazol amide compound containing 5-aryl isoxazole structure 南通大学 2017-02-22 CN disclosed
CN-106432216-A Preparation method and application of pyrazol amide compound containing 5-aryl isoxazole structure 南通大学 2017-02-22 CN disclosed
EP-1758896-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2007-03-07 EP disclosed
WO-2005123726-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2005-12-29 WO disclosed
US-20050282707-A1 Pyridinylisoxazoles and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2005-12-22 US disclosed
US-5827869-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 US disclosed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 WO disclosed
US-5612359-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 US disclosed
EP-0702012-A1 Substituted isoxazole sulfonamides and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-20 EP disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
JP-H05186440-A NEW HERBICIDE RHONE POULENC AGRICULTURE LTD 1993-07-27 JP disclosed
CN-1068567-A NEW HERBICIDES RHONE POULENC AGRICULTURE (GB) 1993-02-03 CN disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 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 (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-20050282707-A1 Pyridinylisoxazoles and their use as herbicides PRDX1, CYP4X1, PRDX4 CYP1A2 21/4885CYP19A1 241/4885CYP2C9 90/4885

“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.