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SCHEMBL1551285

SCHEMBL1551285

CC(C)(F)c1nc(N)nc(NC(CCc2ccccc2)C2CCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.38
▸ HRH4 Q9H3N8 4/20 0.36
▸ IDH1 O75874 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ SLC18A2 Q05940 1/20 0.32
▸ ADRA1D P25100 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ HTR6 P50406 1/20 0.31

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
SCHEMBL1552281 1.00 HTR7 (0.38) HTR7HRH4IDH1ALDH1A1HTT
SCHEMBL1551284 1.00 HTR7 (0.38) HTR7HRH4IDH1ALDH1A1HTT
SCHEMBL4004607 0.94 HTR7 (0.41) HTR7HRH4
SCHEMBL1551807 0.90 HTR7 (0.42) HTR7HRH4IDH1TSHR
SCHEMBL1551811 0.90 HTR7 (0.42) HTR7HRH4IDH1TSHR
SCHEMBL1552520 0.90 HTR7 (0.42) HTR7HRH4IDH1TSHR
SCHEMBL6730951 0.82 HTR7 (0.39) HTR7IDH1ALDH1A1TSHRADRA1D
SCHEMBL6726288 0.82 HTR7 (0.39) HTR7IDH1ALDH1A1TSHRADRA1D
SCHEMBL6733937 0.82 HTR7 (0.39) HTR7IDH1ALDH1A1TSHRADRA1D
SCHEMBL7978040 0.82 HTR7 (0.46) HTR7ALDH1A1HTTTSHRADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4676668-B2 — — 2011-04-27 — — JP claimed
EP-1233673-A2 SYNERGISTIC HERBICIDAL AGENTS THAT CONTAIN HERBICIDES FROM THE GROUP OF THE HYDROXYPHENYLPYRUVATE DIOXYGENASE INHIBITORS Aventis CropScience GmbH (DE) 2002-08-28 — — EP claimed
WO-2001028341-A2 HYDROXYPHENYLPYRUVATE DIOXYGENASE INHIBITORS USED IN SYNERGISTIC MIXTURES AVENTIS CROPSCIENCE GMBH (DE) 2001-04-26 — — WO claimed
US-8198214-B2 Solid formulation BAYER CROPSCIENCE AG (DE) 2012-06-12 — — US disclosed
US-8158557-B2 Storage-stable formulations of sulfonamides BAYER CROPSCIENCE AG (DE) 2012-04-17 — — US disclosed
US-8076268-B2 Liquid formulations containing dialkyl sulfosuccinate and hydroxyphenylpyruvate dioxygenase inhibitors BAYER CROPSCIENCE AG (DE) 2011-12-13 — — US disclosed
US-20110152082-A1 LIQUID FORMULATIONS BAYER CROPSCIENCE AG (DE) 2011-06-23 — — US disclosed
EP-2012588-B1 AQUEOUS SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2011-04-27 — — EP disclosed
US-7867946-B2 Liquid formulation BAYER CROPSCIENCE AG (DE) 2011-01-11 — — US disclosed
US-20100234227-A1 MICROEMULSION CONCENTRATES BAYER CROPSCIENCE AG (DE) 2010-09-16 — — US disclosed
US-7776792-B2 Synergistic mixture of acetolactate synthase inhibitor and ester as herbicide BAYER CROPSCIENCE AG (DE) 2010-08-17 — — US disclosed
US-20020091260-A1 2,4-diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators GIENCKE WOLFGANG (DE) 2002-07-11 — — US disclosed
WO-2001082693-A2 LIQUID FORMULATIONS BAYER CROPSCIENCE GMBH (DE) 2001-11-08 — — WO disclosed
US-20010011063-A1 Substituted 2,4-diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators AVENTIS CROPSCIENCE GMBH (DE) 2001-08-02 — — US disclosed
EP-1113720-A1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS Aventis CropScience GmbH (DE) 2001-07-11 — — EP disclosed
WO-2001043546-A2 COMBINATIONS OF HERBICIDAL ALKYLAZINES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2001-06-21 — — WO disclosed
WO-2001028341-A2 HYDROXYPHENYLPYRUVATE DIOXYGENASE INHIBITORS USED IN SYNERGISTIC MIXTURES AVENTIS CROPSCIENCE GMBH (DE) 2001-04-26 — — WO disclosed
EP-1087948-A1 2,4-DIAMINO-1,3,5-TRIAZINE, METHOD FOR THE PRODUCTION AND USE OF THE SAME AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-04-04 — — EP disclosed
WO-2000016627-A1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS FOR CONTROLLING HARMFUL PLANTS AVENTIS CROPSCIENCE GMBH (DE) 2000-03-30 — — WO disclosed
WO-1999065882-A1 2,4-DIAMINO-1,3,5-TRIAZINE, METHOD FOR THE PRODUCTION AND USE OF THE SAME AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 1999-12-23 — — 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 (4 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-20010011063-A1 Substituted 2,4-diamino-1,3,5-triazines, processes for their preparation and their use as herbicides and plant growth regulators DDT, DAZAP1, SAT1 HTR7 2152/4885HRH4 583/4885IDH1 382/4885
US-20100234227-A1 MICROEMULSION CONCENTRATES ADH1C, MGLL, ADH1A HTR7 2228/4885HRH4 3758/4885IDH1 1999/4885
US-20020091260-A1 2,4-diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators DDT, DAZAP1, DCUN1D5 HTR7 2799/4885HRH4 1465/4885IDH1 1055/4885
US-20110152082-A1 LIQUID FORMULATIONS CBX3, CBX6, IPO11 HTR7 3012/4885HRH4 3880/4885IDH1 450/4885

“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.