SCHEMBL7822757

SCHEMBL7822757

[O]c1cc(C(F)(F)F)ccn1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.63
NOS2 P35228 1/20 0.63
ADRB1 P08588 1/20 0.43
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KIF11 P52732 4/20 0.38
KMO O15229 1/20 0.38
SYK P43405 2/20 0.38
PARP1 P09874 1/20 0.37
AURKA O14965 1/20 0.37
DYRK1A Q13627 1/20 0.36
CES2 O00748 1/20 0.36
CNR2 P34972 1/20 0.36
RIOK2 Q9BVS4 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL29432593 0.77 NOS3 (1.00) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL59927 0.77 NOS3 (1.00) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL810884 0.76 NOS3 (0.61) NOS3NOS2ADRB1MAPK1ALDH1A1
Bromide SCHEMBL5756062 0.76 NOS3 (0.96) NOS3NOS2ADRB1MAPK1ADRB2
Hydrochloric Acid SCHEMBL31372470 0.76 NOS3 (0.96) NOS3NOS2ADRB1MAPK1ADRB2
SCHEMBL2327508 0.74 NOS3 (0.59) NOS3NOS2ADRB1MAPK1ALDH1A1
SCHEMBL29518423 0.74 NOS3 (0.59) NOS3NOS2ADRB1MAPK1ALDH1A1
SCHEMBL607015 0.74 NOS3 (0.59) NOS3NOS2ADRB1MAPK1ALDH1A1
SCHEMBL119912 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ALDH1A1
SCHEMBL1507293 0.73 NOS3 (0.57) NOS3NOS2ADRB1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1148056-A1 Herbicidal benzoyloxy carboxylates and carboxamides Dow AgroSciences LLC (US) 2001-10-24 EP claimed
US-6251829-B1 PREEMERGENT AND POSTEMERGENT HERBICIDES ROHM AND HAAS COMPANY 2001-06-26 US claimed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
EP-1148056-A1 Herbicidal benzoyloxy carboxylates and carboxamides Dow AgroSciences LLC (US) 2001-10-24 EP disclosed
US-6251829-B1 PREEMERGENT AND POSTEMERGENT HERBICIDES ROHM AND HAAS COMPANY 2001-06-26 US disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 NOS3 1461/4885NOS2 2846/4885ADRB1 2975/4885

“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.